2-[(3-ethyl-2-methylcyclopentyl)amino]-N-methylbenzenesulfonamide

C15H24N2O2S — CID 64921417

IUPAC2-[(3-ethyl-2-methylcyclopentyl)amino]-N-methylbenzenesulfonamide
SMILESCCC1CCC(Nc2ccccc2S(=O)(=O)NC)C1C
InChIInChI=1S/C15H24N2O2S/c1-4-12-9-10-13(11(12)2)17-14-7-5-6-8-15(14)20(18,19)16-3/h5-8,11-13,16-17H,4,9-10H2,1-3H3
InChIKeyJJLGRYRWXUGMRG-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.83
Rot. Bonds5

About 2-[(3-ethyl-2-methylcyclopentyl)amino]-N-methylbenzenesulfonamide

2-[(3-ethyl-2-methylcyclopentyl)amino]-N-methylbenzenesulfonamide (PubChem CID 64921417) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-[(3-ethyl-2-methylcyclopentyl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(3-ethyl-2-methylcyclopentyl)amino]-N-methylbenzenesulfonamide
PubChem CID64921417
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-[(3-ethyl-2-methylcyclopentyl)amino]-N-methylbenzenesulfonamide
SMILESCCC1CCC(Nc2ccccc2S(=O)(=O)NC)C1C
InChIInChI=1S/C15H24N2O2S/c1-4-12-9-10-13(11(12)2)17-14-7-5-6-8-15(14)20(18,19)16-3/h5-8,11-13,16-17H,4,9-10H2,1-3H3
InChIKeyJJLGRYRWXUGMRG-UHFFFAOYSA-N
XLogP2.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-2-methylcyclopentyl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[(3-ethyl-2-methylcyclopentyl)amino]-N-methylbenzenesulfonamide (CID 64921417) is 2-[(3-ethyl-2-methylcyclopentyl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[(3-ethyl-2-methylcyclopentyl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[(3-ethyl-2-methylcyclopentyl)amino]-N-methylbenzenesulfonamide is CCC1CCC(Nc2ccccc2S(=O)(=O)NC)C1C.
What is the InChIKey of 2-[(3-ethyl-2-methylcyclopentyl)amino]-N-methylbenzenesulfonamide?
The InChIKey is JJLGRYRWXUGMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-12-9-10-13(11(12)2)17-14-7-5-6-8-15(14)20(18,19)16-3/h5-8,11-13,16-17H,4,9-10H2,1-3H3.
What are the key properties of 2-[(3-ethyl-2-methylcyclopentyl)amino]-N-methylbenzenesulfonamide?
2-[(3-ethyl-2-methylcyclopentyl)amino]-N-methylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-2-methylcyclopentyl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 64921417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).