4-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzenesulfonamide

C16H26N2O2S — CID 79871213

IUPAC4-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(NC2CCCC2(C)C)cc1
InChIInChI=1S/C16H26N2O2S/c1-4-12-17-21(19,20)14-9-7-13(8-10-14)18-15-6-5-11-16(15,2)3/h7-10,15,17-18H,4-6,11-12H2,1-3H3
InChIKeyUCPDTROXEHRQTH-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.37
Rot. Bonds6

About 4-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzenesulfonamide

4-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzenesulfonamide (PubChem CID 79871213) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 4-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzenesulfonamide
PubChem CID79871213
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name4-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(NC2CCCC2(C)C)cc1
InChIInChI=1S/C16H26N2O2S/c1-4-12-17-21(19,20)14-9-7-13(8-10-14)18-15-6-5-11-16(15,2)3/h7-10,15,17-18H,4-6,11-12H2,1-3H3
InChIKeyUCPDTROXEHRQTH-UHFFFAOYSA-N
XLogP3.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[(2,2-dimethylcyclopentyl)amino]benzenesulfonamide
CID 79870274
N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]methanesulfonamide
CID 79860490
N-(2,2-dimethylcyclopentyl)-4-nitroaniline
CID 79859591
N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]propanamide
CID 79860812
propyl 4-[(2,2-dimethylcyclopentyl)amino]benzoate
CID 79863937
4-(methanesulfonamido)-N-propylbenzenesulfonamide
CID 6458395
N-(2,2-dimethylcyclopentyl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 79860710
N-(2,2-dimethylcyclopentyl)-2-methyl-5-methylsulfonylaniline
CID 79860379
4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-N-propylbenzenesulfonamide
CID 43598923
N-propyl-4-(thian-2-ylmethylamino)benzenesulfonamide
CID 80609269
4-(cyclopropylamino)-N-ethylbenzenesulfonamide
CID 43453953
N-(2,2-dimethylcyclohexyl)-4-fluoroaniline
CID 79828345

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzenesulfonamide?
The IUPAC name of 4-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzenesulfonamide (CID 79871213) is 4-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzenesulfonamide?
The canonical SMILES for 4-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(NC2CCCC2(C)C)cc1.
What is the InChIKey of 4-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzenesulfonamide?
The InChIKey is UCPDTROXEHRQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-12-17-21(19,20)14-9-7-13(8-10-14)18-15-6-5-11-16(15,2)3/h7-10,15,17-18H,4-6,11-12H2,1-3H3.
What are the key properties of 4-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzenesulfonamide?
4-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzenesulfonamide is sourced from PubChem (CID 79871213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).