Home Sulfos 3-(morpholine-4-sulfonyl)propanoic acid

3-(morpholine-4-sulfonyl)propanoic acid

CAS No.:
848178-48-3
Catalog Number:
AG00IDG9
Molecular Formula:
C7H13NO5S
Molecular Weight:
223.2468
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Product Description
Catalog Number:
AG00IDG9
Chemical Name:
3-(morpholine-4-sulfonyl)propanoic acid
CAS Number:
848178-48-3
Molecular Formula:
C7H13NO5S
Molecular Weight:
223.2468
MDL Number:
MFCD07323647
IUPAC Name:
3-morpholin-4-ylsulfonylpropanoic acid
InChI:
InChI=1S/C7H13NO5S/c9-7(10)1-6-14(11,12)8-2-4-13-5-3-8/h1-6H2,(H,9,10)
InChI Key:
BXZBRLVPYVFGDN-UHFFFAOYSA-N
SMILES:
OC(=O)CCS(=O)(=O)N1CCOCC1
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.051g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.243g/mol
Monoisotopic Mass:
223.051g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties