[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl-methylamino]methylbenzene

C13H22N2O3S — CID 79256333

IUPAC[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl-methylamino]methylbenzene
SMILESCC(C)C(CO)NS(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H22N2O3S/c1-11(2)13(10-16)14-19(17,18)15(3)9-12-7-5-4-6-8-12/h4-8,11,13-14,16H,9-10H2,1-3H3
InChIKeyGSQGCTYCGNJXDK-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.97
Rot. Bonds7

About [(1-hydroxy-3-methylbutan-2-yl)sulfamoyl-methylamino]methylbenzene

[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl-methylamino]methylbenzene (PubChem CID 79256333) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is [(1-hydroxy-3-methylbutan-2-yl)sulfamoyl-methylamino]methylbenzene.

Molecular Properties

Compound Name[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl-methylamino]methylbenzene
PubChem CID79256333
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl-methylamino]methylbenzene
SMILESCC(C)C(CO)NS(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H22N2O3S/c1-11(2)13(10-16)14-19(17,18)15(3)9-12-7-5-4-6-8-12/h4-8,11,13-14,16H,9-10H2,1-3H3
InChIKeyGSQGCTYCGNJXDK-UHFFFAOYSA-N
XLogP0.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1-hydroxy-3-methylbutan-2-yl)sulfamoyl-methylamino]methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[benzyl(methyl)sulfamoyl]amino]-3-hydroxypropanoic acid
CID 43245147
2-[[[benzyl(methyl)sulfamoyl]amino]methyl]-3-methylbutanoic acid
CID 65220733
[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]methylbenzene
CID 43501816
2-(dimethylsulfamoylamino)-1-hydroxy-3-methylbutane
CID 79022091
N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 73191893
2-[[benzyl(methyl)sulfamoyl]-methylamino]propan-1-ol
CID 112548547
N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzenesulfonamide
CID 79023963
1-[[[(2R)-1-hydroxypropan-2-yl]sulfamoyl-methylamino]methyl]-3-methoxybenzene
CID 79027963
(2S)-1-hydroxy-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 79255703
4-[[benzyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
CID 81066544
2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane
CID 79256341
(2S)-2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane
CID 79256086

Frequently Asked Questions

What is the IUPAC name of [(1-hydroxy-3-methylbutan-2-yl)sulfamoyl-methylamino]methylbenzene?
The IUPAC name of [(1-hydroxy-3-methylbutan-2-yl)sulfamoyl-methylamino]methylbenzene (CID 79256333) is [(1-hydroxy-3-methylbutan-2-yl)sulfamoyl-methylamino]methylbenzene.
What is the SMILES notation for [(1-hydroxy-3-methylbutan-2-yl)sulfamoyl-methylamino]methylbenzene?
The canonical SMILES for [(1-hydroxy-3-methylbutan-2-yl)sulfamoyl-methylamino]methylbenzene is CC(C)C(CO)NS(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of [(1-hydroxy-3-methylbutan-2-yl)sulfamoyl-methylamino]methylbenzene?
The InChIKey is GSQGCTYCGNJXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-11(2)13(10-16)14-19(17,18)15(3)9-12-7-5-4-6-8-12/h4-8,11,13-14,16H,9-10H2,1-3H3.
What are the key properties of [(1-hydroxy-3-methylbutan-2-yl)sulfamoyl-methylamino]methylbenzene?
[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl-methylamino]methylbenzene has a molecular weight of 286.40 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-hydroxy-3-methylbutan-2-yl)sulfamoyl-methylamino]methylbenzene is sourced from PubChem (CID 79256333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).