4-[2-[(3-methylcyclopentyl)amino]ethyl]benzenesulfonamide

C14H22N2O2S — CID 64500491

IUPAC4-[2-[(3-methylcyclopentyl)amino]ethyl]benzenesulfonamide
SMILESCC1CCC(NCCc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C14H22N2O2S/c1-11-2-5-13(10-11)16-9-8-12-3-6-14(7-4-12)19(15,17)18/h3-4,6-7,11,13,16H,2,5,8-10H2,1H3,(H2,15,17,18)
InChIKeyZGEIVMRABIDZSC-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.65
Rot. Bonds5

About 4-[2-[(3-methylcyclopentyl)amino]ethyl]benzenesulfonamide

4-[2-[(3-methylcyclopentyl)amino]ethyl]benzenesulfonamide (PubChem CID 64500491) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-[2-[(3-methylcyclopentyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(3-methylcyclopentyl)amino]ethyl]benzenesulfonamide
PubChem CID64500491
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-[2-[(3-methylcyclopentyl)amino]ethyl]benzenesulfonamide
SMILESCC1CCC(NCCc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C14H22N2O2S/c1-11-2-5-13(10-11)16-9-8-12-3-6-14(7-4-12)19(15,17)18/h3-4,6-7,11,13,16H,2,5,8-10H2,1H3,(H2,15,17,18)
InChIKeyZGEIVMRABIDZSC-UHFFFAOYSA-N
XLogP1.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide
CID 79742039
4-[2-(cyclohexylamino)ethyl]benzenesulfonamide
CID 54995569
4-[2-[(3-aminocyclobutyl)amino]ethyl]benzenesulfonamide
CID 80560838
4-[2-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 106872019
4-[2-[(3-methoxycyclobutyl)amino]ethyl]benzenesulfonamide
CID 104872021
4-[2-(thian-4-ylamino)ethyl]benzenesulfonamide
CID 54995674
4-[2-[(1-propylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
CID 119164939
4-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide
CID 64760901
4-(3-aminopropyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114552052
cis-(1S,3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine
CID 30979844
4-[2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]ethyl]benzenesulfonamide
CID 131898978
3-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 64500281

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-methylcyclopentyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(3-methylcyclopentyl)amino]ethyl]benzenesulfonamide (CID 64500491) is 4-[2-[(3-methylcyclopentyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(3-methylcyclopentyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(3-methylcyclopentyl)amino]ethyl]benzenesulfonamide is CC1CCC(NCCc2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of 4-[2-[(3-methylcyclopentyl)amino]ethyl]benzenesulfonamide?
The InChIKey is ZGEIVMRABIDZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-2-5-13(10-11)16-9-8-12-3-6-14(7-4-12)19(15,17)18/h3-4,6-7,11,13,16H,2,5,8-10H2,1H3,(H2,15,17,18).
What are the key properties of 4-[2-[(3-methylcyclopentyl)amino]ethyl]benzenesulfonamide?
4-[2-[(3-methylcyclopentyl)amino]ethyl]benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-methylcyclopentyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 64500491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).