2-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-methylbenzenesulfonamide

C12H19N3O3S — CID 103355271

IUPAC2-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCC(C)(O)C2)cc1N
InChIInChI=1S/C12H19N3O3S/c1-12(16)5-6-15(8-12)9-3-4-11(10(13)7-9)19(17,18)14-2/h3-4,7,14,16H,5-6,8,13H2,1-2H3
InChIKeyFGOXHUBMKRTMDC-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.14
Rot. Bonds3

About 2-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-methylbenzenesulfonamide

2-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-methylbenzenesulfonamide (PubChem CID 103355271) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-methylbenzenesulfonamide
PubChem CID103355271
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCC(C)(O)C2)cc1N
InChIInChI=1S/C12H19N3O3S/c1-12(16)5-6-15(8-12)9-3-4-11(10(13)7-9)19(17,18)14-2/h3-4,7,14,16H,5-6,8,13H2,1-2H3
InChIKeyFGOXHUBMKRTMDC-UHFFFAOYSA-N
XLogP0.14
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-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

2-amino-4-(3,3-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide
CID 80645810
2-amino-4-(azepan-1-yl)-N-methylbenzenesulfonamide
CID 80646144
2-amino-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 80645856
2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide
CID 80645527
5-amino-2-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbenzenesulfonamide
CID 103287216
2-amino-N-methyl-4-(3-oxopiperazin-1-yl)benzenesulfonamide
CID 80646358
2-amino-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenesulfonamide
CID 80641354
2-amino-N-methyl-4-(2,2,6-trimethylmorpholin-4-yl)benzenesulfonamide
CID 80640866
2-amino-N-methyl-4-(5-oxo-1,4-diazepan-1-yl)benzenesulfonamide
CID 80646515
4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylbenzoic acid
CID 103356398
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-N-methylbenzenesulfonamide
CID 80641981
1-(6-tert-butylsulfonyl-3-pyridinyl)-3-methylpyrrolidin-3-ol
CID 133410682

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-methylbenzenesulfonamide (CID 103355271) is 2-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N2CCC(C)(O)C2)cc1N.
What is the InChIKey of 2-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-methylbenzenesulfonamide?
The InChIKey is FGOXHUBMKRTMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-12(16)5-6-15(8-12)9-3-4-11(10(13)7-9)19(17,18)14-2/h3-4,7,14,16H,5-6,8,13H2,1-2H3.
What are the key properties of 2-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-methylbenzenesulfonamide?
2-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-methylbenzenesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 103355271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).