2-[[benzyl(methyl)sulfamoyl]-methylamino]propan-1-ol

C12H20N2O3S — CID 112548547

IUPAC2-[[benzyl(methyl)sulfamoyl]-methylamino]propan-1-ol
SMILESCC(CO)N(C)S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C12H20N2O3S/c1-11(10-15)14(3)18(16,17)13(2)9-12-7-5-4-6-8-12/h4-8,11,15H,9-10H2,1-3H3
InChIKeyKPMIBCMMIOLZHW-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.68
Rot. Bonds6

About 2-[[benzyl(methyl)sulfamoyl]-methylamino]propan-1-ol

2-[[benzyl(methyl)sulfamoyl]-methylamino]propan-1-ol (PubChem CID 112548547) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-[[benzyl(methyl)sulfamoyl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[benzyl(methyl)sulfamoyl]-methylamino]propan-1-ol
PubChem CID112548547
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-[[benzyl(methyl)sulfamoyl]-methylamino]propan-1-ol
SMILESCC(CO)N(C)S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C12H20N2O3S/c1-11(10-15)14(3)18(16,17)13(2)9-12-7-5-4-6-8-12/h4-8,11,15H,9-10H2,1-3H3
InChIKeyKPMIBCMMIOLZHW-UHFFFAOYSA-N
XLogP0.68
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl(methyl)sulfamoyl]-2-methylpropanoic acid
CID 18522094
[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl-methylamino]methylbenzene
CID 79256333
2-[[benzyl(methyl)sulfamoyl]amino]-3-hydroxypropanoic acid
CID 43245147
2-[benzyl-[benzyl(methyl)sulfamoyl]amino]acetic acid
CID 54326605
N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide
CID 115875785
(2S)-2-[benzyl(ethyl)amino]propan-1-ol
CID 14327251
N-benzyl-N-methyl-1-methylsulfanylethanesulfonamide
CID 129166946
N-methyl-N-(methylsulfonimidoyl)-1-phenylmethanamine
CID 148954390
methyl 2-[benzyl(methyl)sulfamoyl]propanoate
CID 10038832
N-benzyl-N-propan-2-ylacetamide
CID 23534449
2-[[[benzyl(methyl)sulfamoyl]amino]methyl]-3-methylbutanoic acid
CID 65220733
(3R,4R)-4-[[benzyl(methyl)sulfamoyl]-methylamino]pyrrolidin-3-ol
CID 43598392

Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(methyl)sulfamoyl]-methylamino]propan-1-ol?
The IUPAC name of 2-[[benzyl(methyl)sulfamoyl]-methylamino]propan-1-ol (CID 112548547) is 2-[[benzyl(methyl)sulfamoyl]-methylamino]propan-1-ol.
What is the SMILES notation for 2-[[benzyl(methyl)sulfamoyl]-methylamino]propan-1-ol?
The canonical SMILES for 2-[[benzyl(methyl)sulfamoyl]-methylamino]propan-1-ol is CC(CO)N(C)S(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of 2-[[benzyl(methyl)sulfamoyl]-methylamino]propan-1-ol?
The InChIKey is KPMIBCMMIOLZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-11(10-15)14(3)18(16,17)13(2)9-12-7-5-4-6-8-12/h4-8,11,15H,9-10H2,1-3H3.
What are the key properties of 2-[[benzyl(methyl)sulfamoyl]-methylamino]propan-1-ol?
2-[[benzyl(methyl)sulfamoyl]-methylamino]propan-1-ol has a molecular weight of 272.37 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(methyl)sulfamoyl]-methylamino]propan-1-ol is sourced from PubChem (CID 112548547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).