2-amino-4-(3,3-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide

C13H21N3O2S — CID 80645810

IUPAC2-amino-4-(3,3-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCC(C)(C)C2)cc1N
InChIInChI=1S/C13H21N3O2S/c1-13(2)6-7-16(9-13)10-4-5-12(11(14)8-10)19(17,18)15-3/h4-5,8,15H,6-7,9,14H2,1-3H3
InChIKeyIFTBGTPEAMMTFJ-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.41
Rot. Bonds3

About 2-amino-4-(3,3-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide

2-amino-4-(3,3-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide (PubChem CID 80645810) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-amino-4-(3,3-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(3,3-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide
PubChem CID80645810
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-amino-4-(3,3-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCC(C)(C)C2)cc1N
InChIInChI=1S/C13H21N3O2S/c1-13(2)6-7-16(9-13)10-4-5-12(11(14)8-10)19(17,18)15-3/h4-5,8,15H,6-7,9,14H2,1-3H3
InChIKeyIFTBGTPEAMMTFJ-UHFFFAOYSA-N
XLogP1.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4-(3,3-dimethylpyrrolidin-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-hydroxy-3-methylpyrrolidin-1-yl)-N-methylbenzenesulfonamide
CID 103355271
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
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-(3-oxopiperazin-1-yl)benzenesulfonamide
CID 80646358
2-amino-N-methyl-4-(5-oxo-1,4-diazepan-1-yl)benzenesulfonamide
CID 80646515
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-N-methylbenzenesulfonamide
CID 80641981
5-amino-2-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbenzenesulfonamide
CID 103287216
2-amino-4-[(2,2-dimethylcyclopropyl)amino]-N-methylbenzenesulfonamide
CID 80646229
2-methylsulfonyl-5-piperazin-1-ylaniline
CID 86607660

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,3-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-4-(3,3-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide (CID 80645810) is 2-amino-4-(3,3-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-(3,3-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-(3,3-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N2CCC(C)(C)C2)cc1N.
What is the InChIKey of 2-amino-4-(3,3-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide?
The InChIKey is IFTBGTPEAMMTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-13(2)6-7-16(9-13)10-4-5-12(11(14)8-10)19(17,18)15-3/h4-5,8,15H,6-7,9,14H2,1-3H3.
What are the key properties of 2-amino-4-(3,3-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide?
2-amino-4-(3,3-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,3-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 80645810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).