3-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]benzenesulfonamide

C15H24N2O2S — CID 64907782

IUPAC3-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]benzenesulfonamide
SMILESCC(NC1CCC(C)C1C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H24N2O2S/c1-10-7-8-15(11(10)2)17-12(3)13-5-4-6-14(9-13)20(16,18)19/h4-6,9-12,15,17H,7-8H2,1-3H3,(H2,16,18,19)
InChIKeyBQVCQDRUZRDOAU-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.42
Rot. Bonds4

About 3-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]benzenesulfonamide

3-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]benzenesulfonamide (PubChem CID 64907782) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]benzenesulfonamide
PubChem CID64907782
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]benzenesulfonamide
SMILESCC(NC1CCC(C)C1C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H24N2O2S/c1-10-7-8-15(11(10)2)17-12(3)13-5-4-6-14(9-13)20(16,18)19/h4-6,9-12,15,17H,7-8H2,1-3H3,(H2,16,18,19)
InChIKeyBQVCQDRUZRDOAU-UHFFFAOYSA-N
XLogP2.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(2-hydroxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 62360873
3-[1-(1-azabicyclo[2.2.2]octan-3-ylamino)ethyl]benzenesulfonamide
CID 43763469
3-[1-(cyclobutylamino)ethyl]benzenesulfonamide
CID 62414933
3-[1-(cyclopentylamino)ethyl]benzenesulfonamide
CID 43756468
3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
CID 43775785
2,3-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclopentan-1-amine
CID 64908882
3-[1-(1-cyclopropylethylamino)ethyl]benzenesulfonamide
CID 43776526
N-(2,3-dimethylcyclopentyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 64922458
3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 103911013
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
3-[1-(cyclopropylsulfamoylamino)ethyl]benzenesulfonamide
CID 104538405
3-[1-(3-cyclopropylpropylamino)ethyl]benzenesulfonamide
CID 115898656

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]benzenesulfonamide (CID 64907782) is 3-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]benzenesulfonamide is CC(NC1CCC(C)C1C)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]benzenesulfonamide?
The InChIKey is BQVCQDRUZRDOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10-7-8-15(11(10)2)17-12(3)13-5-4-6-14(9-13)20(16,18)19/h4-6,9-12,15,17H,7-8H2,1-3H3,(H2,16,18,19).
What are the key properties of 3-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]benzenesulfonamide?
3-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 64907782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).