2-[(3,3-dimethylcyclopentyl)amino]-N-methylbenzenesulfonamide

C14H22N2O2S — CID 80705108

IUPAC2-[(3,3-dimethylcyclopentyl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NC1CCC(C)(C)C1
InChIInChI=1S/C14H22N2O2S/c1-14(2)9-8-11(10-14)16-12-6-4-5-7-13(12)19(17,18)15-3/h4-7,11,15-16H,8-10H2,1-3H3
InChIKeyYKSMCOZPZBPRLR-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.59
Rot. Bonds4

About 2-[(3,3-dimethylcyclopentyl)amino]-N-methylbenzenesulfonamide

2-[(3,3-dimethylcyclopentyl)amino]-N-methylbenzenesulfonamide (PubChem CID 80705108) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[(3,3-dimethylcyclopentyl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(3,3-dimethylcyclopentyl)amino]-N-methylbenzenesulfonamide
PubChem CID80705108
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-[(3,3-dimethylcyclopentyl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NC1CCC(C)(C)C1
InChIInChI=1S/C14H22N2O2S/c1-14(2)9-8-11(10-14)16-12-6-4-5-7-13(12)19(17,18)15-3/h4-7,11,15-16H,8-10H2,1-3H3
InChIKeyYKSMCOZPZBPRLR-UHFFFAOYSA-N
XLogP2.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylcyclopentyl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[(3,3-dimethylcyclopentyl)amino]-N-methylbenzenesulfonamide (CID 80705108) is 2-[(3,3-dimethylcyclopentyl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[(3,3-dimethylcyclopentyl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[(3,3-dimethylcyclopentyl)amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1NC1CCC(C)(C)C1.
What is the InChIKey of 2-[(3,3-dimethylcyclopentyl)amino]-N-methylbenzenesulfonamide?
The InChIKey is YKSMCOZPZBPRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-14(2)9-8-11(10-14)16-12-6-4-5-7-13(12)19(17,18)15-3/h4-7,11,15-16H,8-10H2,1-3H3.
What are the key properties of 2-[(3,3-dimethylcyclopentyl)amino]-N-methylbenzenesulfonamide?
2-[(3,3-dimethylcyclopentyl)amino]-N-methylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylcyclopentyl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 80705108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).