4-[1-[(3-ethylcyclopentyl)amino]ethyl]benzenesulfonamide

C15H24N2O2S — CID 64502296

IUPAC4-[1-[(3-ethylcyclopentyl)amino]ethyl]benzenesulfonamide
SMILESCCC1CCC(NC(C)c2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C15H24N2O2S/c1-3-12-4-7-14(10-12)17-11(2)13-5-8-15(9-6-13)20(16,18)19/h5-6,8-9,11-12,14,17H,3-4,7,10H2,1-2H3,(H2,16,18,19)
InChIKeyOKYQVGSNJAYAPE-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.56
Rot. Bonds5

About 4-[1-[(3-ethylcyclopentyl)amino]ethyl]benzenesulfonamide

4-[1-[(3-ethylcyclopentyl)amino]ethyl]benzenesulfonamide (PubChem CID 64502296) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-[1-[(3-ethylcyclopentyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[(3-ethylcyclopentyl)amino]ethyl]benzenesulfonamide
PubChem CID64502296
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4-[1-[(3-ethylcyclopentyl)amino]ethyl]benzenesulfonamide
SMILESCCC1CCC(NC(C)c2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C15H24N2O2S/c1-3-12-4-7-14(10-12)17-11(2)13-5-8-15(9-6-13)20(16,18)19/h5-6,8-9,11-12,14,17H,3-4,7,10H2,1-2H3,(H2,16,18,19)
InChIKeyOKYQVGSNJAYAPE-UHFFFAOYSA-N
XLogP2.56
TPSA72.19 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 ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(4-ethylcyclohexyl)amino]ethyl]benzenesulfonamide
CID 43681869
4-[(1S)-1-[[(1S,3R)-3-ethylsulfanylcyclopentyl]amino]ethyl]benzenesulfonamide
CID 97113685
3-ethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclopentan-1-amine
CID 81349259
4-[1-(cyclohexylamino)ethyl]benzenesulfonamide
CID 43681895
3-ethyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine
CID 81405604
4-[1-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 103911415
4-[1-[(2-methylcyclopropyl)amino]ethyl]benzenesulfonamide
CID 62396330
4-[1-(oxan-3-ylamino)ethyl]benzenesulfonamide
CID 63360384
3-ethyl-N-[1-(4-iodophenyl)ethyl]cyclohexan-1-amine
CID 64742976
4-[1-(cyclopropylsulfonylamino)ethyl]benzenesulfonamide
CID 64555165
4-[1-[(2,5-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide
CID 64762405
3-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 81360857

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-ethylcyclopentyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-[(3-ethylcyclopentyl)amino]ethyl]benzenesulfonamide (CID 64502296) is 4-[1-[(3-ethylcyclopentyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-[(3-ethylcyclopentyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-[(3-ethylcyclopentyl)amino]ethyl]benzenesulfonamide is CCC1CCC(NC(C)c2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of 4-[1-[(3-ethylcyclopentyl)amino]ethyl]benzenesulfonamide?
The InChIKey is OKYQVGSNJAYAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-12-4-7-14(10-12)17-11(2)13-5-8-15(9-6-13)20(16,18)19/h5-6,8-9,11-12,14,17H,3-4,7,10H2,1-2H3,(H2,16,18,19).
What are the key properties of 4-[1-[(3-ethylcyclopentyl)amino]ethyl]benzenesulfonamide?
4-[1-[(3-ethylcyclopentyl)amino]ethyl]benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-ethylcyclopentyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 64502296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).