Home Sulfos Carbamic acid, N-[[2-(methylsulfonyl)-4-pyrimidinyl]methyl]-, 1,1-dimethylethyl ester

Carbamic acid, N-[[2-(methylsulfonyl)-4-pyrimidinyl]methyl]-, 1,1-dimethylethyl ester

CAS No.:
1799434-48-2
Catalog Number:
AG0021HG
Molecular Formula:
C11H17N3O4S
Molecular Weight:
287.3354
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Product Description
Catalog Number:
AG0021HG
Chemical Name:
Carbamic acid, N-[[2-(methylsulfonyl)-4-pyrimidinyl]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1799434-48-2
Molecular Formula:
C11H17N3O4S
Molecular Weight:
287.3354
MDL Number:
MFCD27996634
IUPAC Name:
tert-butyl N-[(2-methylsulfonylpyrimidin-4-yl)methyl]carbamate
InChI:
InChI=1S/C11H17N3O4S/c1-11(2,3)18-10(15)13-7-8-5-6-12-9(14-8)19(4,16)17/h5-6H,7H2,1-4H3,(H,13,15)
InChI Key:
OETOMMSENCSSKP-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1ccnc(n1)S(=O)(=O)C
Properties
Complexity:
411  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.094g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
287.334g/mol
Monoisotopic Mass:
287.094g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties