3-[(3,3-dimethylcyclopentyl)amino]-4,5-dimethylbenzenesulfonamide

C15H24N2O2S — CID 80705810

IUPAC3-[(3,3-dimethylcyclopentyl)amino]-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(NC2CCC(C)(C)C2)c1C
InChIInChI=1S/C15H24N2O2S/c1-10-7-13(20(16,18)19)8-14(11(10)2)17-12-5-6-15(3,4)9-12/h7-8,12,17H,5-6,9H2,1-4H3,(H2,16,18,19)
InChIKeyPTHPMYNEPJIIPY-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.94
Rot. Bonds3

About 3-[(3,3-dimethylcyclopentyl)amino]-4,5-dimethylbenzenesulfonamide

3-[(3,3-dimethylcyclopentyl)amino]-4,5-dimethylbenzenesulfonamide (PubChem CID 80705810) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-[(3,3-dimethylcyclopentyl)amino]-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(3,3-dimethylcyclopentyl)amino]-4,5-dimethylbenzenesulfonamide
PubChem CID80705810
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-[(3,3-dimethylcyclopentyl)amino]-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(NC2CCC(C)(C)C2)c1C
InChIInChI=1S/C15H24N2O2S/c1-10-7-13(20(16,18)19)8-14(11(10)2)17-12-5-6-15(3,4)9-12/h7-8,12,17H,5-6,9H2,1-4H3,(H2,16,18,19)
InChIKeyPTHPMYNEPJIIPY-UHFFFAOYSA-N
XLogP2.94
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-dimethylcyclopentyl)amino]-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-[(3,3-dimethylcyclopentyl)amino]-4,5-dimethylbenzenesulfonamide (CID 80705810) is 3-[(3,3-dimethylcyclopentyl)amino]-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(3,3-dimethylcyclopentyl)amino]-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[(3,3-dimethylcyclopentyl)amino]-4,5-dimethylbenzenesulfonamide is Cc1cc(S(N)(=O)=O)cc(NC2CCC(C)(C)C2)c1C.
What is the InChIKey of 3-[(3,3-dimethylcyclopentyl)amino]-4,5-dimethylbenzenesulfonamide?
The InChIKey is PTHPMYNEPJIIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10-7-13(20(16,18)19)8-14(11(10)2)17-12-5-6-15(3,4)9-12/h7-8,12,17H,5-6,9H2,1-4H3,(H2,16,18,19).
What are the key properties of 3-[(3,3-dimethylcyclopentyl)amino]-4,5-dimethylbenzenesulfonamide?
3-[(3,3-dimethylcyclopentyl)amino]-4,5-dimethylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-dimethylcyclopentyl)amino]-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 80705810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).