Home Sulfos 1-[(1-methyl-1H-pyrrol-3-yl)sulfonyl]piperazine

1-[(1-methyl-1H-pyrrol-3-yl)sulfonyl]piperazine

CAS No.:
949654-73-3
Catalog Number:
AG00IIO1
Molecular Formula:
C9H15N3O2S
Molecular Weight:
229.2993
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Product Description
Catalog Number:
AG00IIO1
Chemical Name:
1-[(1-methyl-1H-pyrrol-3-yl)sulfonyl]piperazine
CAS Number:
949654-73-3
Molecular Formula:
C9H15N3O2S
Molecular Weight:
229.2993
MDL Number:
MFCD09802108
IUPAC Name:
1-(1-methylpyrrol-3-yl)sulfonylpiperazine
InChI:
InChI=1S/C9H15N3O2S/c1-11-5-2-9(8-11)15(13,14)12-6-3-10-4-7-12/h2,5,8,10H,3-4,6-7H2,1H3
InChI Key:
IGIZBRZOHDBBQX-UHFFFAOYSA-N
SMILES:
Cn1ccc(c1)S(=O)(=O)N1CCNCC1
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.088g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.298g/mol
Monoisotopic Mass:
229.088g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties