4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-methylbenzenesulfonamide

C12H20N2O3S2 — CID 106158902

IUPAC4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC(C)C(CO)SC)cc1
InChIInChI=1S/C12H20N2O3S2/c1-9(12(8-15)18-3)14-10-4-6-11(7-5-10)19(16,17)13-2/h4-7,9,12-15H,8H2,1-3H3
InChIKeyMHKKTFWNTDWXEA-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.12
Rot. Bonds7

About 4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-methylbenzenesulfonamide

4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-methylbenzenesulfonamide (PubChem CID 106158902) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-methylbenzenesulfonamide
PubChem CID106158902
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC(C)C(CO)SC)cc1
InChIInChI=1S/C12H20N2O3S2/c1-9(12(8-15)18-3)14-10-4-6-11(7-5-10)19(16,17)13-2/h4-7,9,12-15H,8H2,1-3H3
InChIKeyMHKKTFWNTDWXEA-UHFFFAOYSA-N
XLogP1.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-methylbenzenesulfonamide 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

3-amino-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-methylbenzenesulfonamide
CID 106154783
4-[(2-hydroxy-1-phenylethyl)amino]-N-methylbenzenesulfonamide
CID 63183034
N-methyl-4-(5-methylheptan-3-ylamino)benzenesulfonamide
CID 43742528
2-[4-(methylsulfamoyl)anilino]propanamide
CID 43545637
3-amino-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]benzenesulfonamide
CID 106154972
N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-4-(2-methylpropoxy)benzenesulfonamide
CID 97246570
4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-2-methylbenzoic acid
CID 114152085
4-(hexan-2-ylamino)-N-methylbenzenesulfonamide
CID 43790312
N-methyl-4-(2-methylpropylamino)benzenesulfonamide
CID 43453809
2-methyl-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 17069914
N-methyl-4-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide
CID 113282613
N-methyl-4-(methylamino)benzenesulfonamide
CID 15049669

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-methylbenzenesulfonamide (CID 106158902) is 4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(NC(C)C(CO)SC)cc1.
What is the InChIKey of 4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-methylbenzenesulfonamide?
The InChIKey is MHKKTFWNTDWXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-9(12(8-15)18-3)14-10-4-6-11(7-5-10)19(16,17)13-2/h4-7,9,12-15H,8H2,1-3H3.
What are the key properties of 4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-methylbenzenesulfonamide?
4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-methylbenzenesulfonamide has a molecular weight of 304.44 g/mol, XLogP of 1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 106158902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).