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

C13H21N3O2S — CID 80645527

IUPAC2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCCC2(C)C)cc1N
InChIInChI=1S/C13H21N3O2S/c1-13(2)7-4-8-16(13)10-5-6-12(11(14)9-10)19(17,18)15-3/h5-6,9,15H,4,7-8,14H2,1-3H3
InChIKeyUEEIJQFBSKEKNX-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.56
Rot. Bonds3

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

2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide (PubChem CID 80645527) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide
PubChem CID80645527
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCCC2(C)C)cc1N
InChIInChI=1S/C13H21N3O2S/c1-13(2)7-4-8-16(13)10-5-6-12(11(14)9-10)19(17,18)15-3/h5-6,9,15H,4,7-8,14H2,1-3H3
InChIKeyUEEIJQFBSKEKNX-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-methylbenzenesulfonamide
CID 103355271
2-amino-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 80645856
1-[2-amino-5-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanone
CID 113433026
1-[2-amino-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanone
CID 104528829
2-amino-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenesulfonamide
CID 80641354
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-N-methylbenzenesulfonamide
CID 80641981
2-amino-N-methyl-4-(3-oxopiperazin-1-yl)benzenesulfonamide
CID 80646358
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
2-amino-4-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzenesulfonamide
CID 105413934

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide (CID 80645527) is 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N2CCCC2(C)C)cc1N.
What is the InChIKey of 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide?
The InChIKey is UEEIJQFBSKEKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-13(2)7-4-8-16(13)10-5-6-12(11(14)9-10)19(17,18)15-3/h5-6,9,15H,4,7-8,14H2,1-3H3.
What are the key properties of 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide?
2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 80645527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).