3-[(1-cyclopropylpyrrolidin-3-yl)amino]-N,4-dimethylbenzenesulfonamide

C15H23N3O2S — CID 62981480

IUPAC3-[(1-cyclopropylpyrrolidin-3-yl)amino]-N,4-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC2CCN(C3CC3)C2)c1
InChIInChI=1S/C15H23N3O2S/c1-11-3-6-14(21(19,20)16-2)9-15(11)17-12-7-8-18(10-12)13-4-5-13/h3,6,9,12-13,16-17H,4-5,7-8,10H2,1-2H3
InChIKeyTYSAUFQWFLSMLD-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.55
Rot. Bonds5

About 3-[(1-cyclopropylpyrrolidin-3-yl)amino]-N,4-dimethylbenzenesulfonamide

3-[(1-cyclopropylpyrrolidin-3-yl)amino]-N,4-dimethylbenzenesulfonamide (PubChem CID 62981480) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 3-[(1-cyclopropylpyrrolidin-3-yl)amino]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(1-cyclopropylpyrrolidin-3-yl)amino]-N,4-dimethylbenzenesulfonamide
PubChem CID62981480
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name3-[(1-cyclopropylpyrrolidin-3-yl)amino]-N,4-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC2CCN(C3CC3)C2)c1
InChIInChI=1S/C15H23N3O2S/c1-11-3-6-14(21(19,20)16-2)9-15(11)17-12-7-8-18(10-12)13-4-5-13/h3,6,9,12-13,16-17H,4-5,7-8,10H2,1-2H3
InChIKeyTYSAUFQWFLSMLD-UHFFFAOYSA-N
XLogP1.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-3-(thian-4-ylamino)benzenesulfonamide
CID 43752109
3-[(3-aminocyclohexyl)amino]-N,4-dimethylbenzenesulfonamide
CID 79459145
N,4-dimethyl-3-(thian-3-ylamino)benzenesulfonamide
CID 62873281
3-[(1-cyclopentylpyrrolidin-3-yl)amino]-N-(2-methylpropyl)-4-nitrobenzenesulfonamide
CID 141171465
N,4-dimethyl-3-[(2-methylthian-3-yl)amino]benzenesulfonamide
CID 79956480
1-cyclopentyl-N-(2-methylsulfonylphenyl)pyrrolidin-3-amine
CID 71871132
1-cyclopropyl-N-(2-methoxy-5-methylphenyl)pyrrolidin-3-amine
CID 55139647
1-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590220
4-(2-methyl-5-sulfamoylanilino)piperidine-1-carboxamide
CID 43790791
4-chloro-2-[(1-cyclopropylpyrrolidin-3-yl)amino]benzoic acid
CID 63081661
N,4-dimethyl-3-(3-methylbutan-2-ylamino)benzenesulfonamide
CID 43752081
1-(5-bromo-2-methylphenyl)-3-[(3S)-1-cyclopropylpyrrolidin-3-yl]urea
CID 95628234

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopropylpyrrolidin-3-yl)amino]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of 3-[(1-cyclopropylpyrrolidin-3-yl)amino]-N,4-dimethylbenzenesulfonamide (CID 62981480) is 3-[(1-cyclopropylpyrrolidin-3-yl)amino]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(1-cyclopropylpyrrolidin-3-yl)amino]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[(1-cyclopropylpyrrolidin-3-yl)amino]-N,4-dimethylbenzenesulfonamide is CNS(=O)(=O)c1ccc(C)c(NC2CCN(C3CC3)C2)c1.
What is the InChIKey of 3-[(1-cyclopropylpyrrolidin-3-yl)amino]-N,4-dimethylbenzenesulfonamide?
The InChIKey is TYSAUFQWFLSMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-11-3-6-14(21(19,20)16-2)9-15(11)17-12-7-8-18(10-12)13-4-5-13/h3,6,9,12-13,16-17H,4-5,7-8,10H2,1-2H3.
What are the key properties of 3-[(1-cyclopropylpyrrolidin-3-yl)amino]-N,4-dimethylbenzenesulfonamide?
3-[(1-cyclopropylpyrrolidin-3-yl)amino]-N,4-dimethylbenzenesulfonamide has a molecular weight of 309.44 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopropylpyrrolidin-3-yl)amino]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 62981480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).