3-[1-(cyclopentylamino)ethyl]benzenesulfonamide

C13H20N2O2S — CID 43756468

IUPAC3-[1-(cyclopentylamino)ethyl]benzenesulfonamide
SMILESCC(NC1CCCC1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H20N2O2S/c1-10(15-12-6-2-3-7-12)11-5-4-8-13(9-11)18(14,16)17/h4-5,8-10,12,15H,2-3,6-7H2,1H3,(H2,14,16,17)
InChIKeyUOUAWSFHIVCDHJ-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.93
Rot. Bonds4

About 3-[1-(cyclopentylamino)ethyl]benzenesulfonamide

3-[1-(cyclopentylamino)ethyl]benzenesulfonamide (PubChem CID 43756468) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-[1-(cyclopentylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(cyclopentylamino)ethyl]benzenesulfonamide
PubChem CID43756468
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-[1-(cyclopentylamino)ethyl]benzenesulfonamide
SMILESCC(NC1CCCC1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H20N2O2S/c1-10(15-12-6-2-3-7-12)11-5-4-8-13(9-11)18(14,16)17/h4-5,8-10,12,15H,2-3,6-7H2,1H3,(H2,14,16,17)
InChIKeyUOUAWSFHIVCDHJ-UHFFFAOYSA-N
XLogP1.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(cyclobutylamino)ethyl]benzenesulfonamide
CID 62414933
3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
CID 43775785
3-[1-[(2-hydroxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 62360873
3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 103911013
4-[1-(cyclohexylamino)ethyl]benzenesulfonamide
CID 43681895
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
3-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64907782
3-[1-(cyclopropylsulfamoylamino)ethyl]benzenesulfonamide
CID 104538405
3-[1-(1-cyclopropylethylamino)ethyl]benzenesulfonamide
CID 43776526
3-[1-(1-azabicyclo[2.2.2]octan-3-ylamino)ethyl]benzenesulfonamide
CID 43763469
3-[1-(3-cyclopropylpropylamino)ethyl]benzenesulfonamide
CID 115898656
3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide
CID 81351259

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopentylamino)ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-(cyclopentylamino)ethyl]benzenesulfonamide (CID 43756468) is 3-[1-(cyclopentylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-(cyclopentylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-(cyclopentylamino)ethyl]benzenesulfonamide is CC(NC1CCCC1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[1-(cyclopentylamino)ethyl]benzenesulfonamide?
The InChIKey is UOUAWSFHIVCDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10(15-12-6-2-3-7-12)11-5-4-8-13(9-11)18(14,16)17/h4-5,8-10,12,15H,2-3,6-7H2,1H3,(H2,14,16,17).
What are the key properties of 3-[1-(cyclopentylamino)ethyl]benzenesulfonamide?
3-[1-(cyclopentylamino)ethyl]benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopentylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 43756468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).