3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide

C13H20N2O2S — CID 43101815

IUPAC3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide
SMILESCC(N)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C13H20N2O2S/c1-10(14)11-5-4-8-13(9-11)18(16,17)15-12-6-2-3-7-12/h4-5,8-10,12,15H,2-3,6-7,14H2,1H3
InChIKeyCASJCTQRKWFXOI-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.93
Rot. Bonds4

About 3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide

3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide (PubChem CID 43101815) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide.

Molecular Properties

Compound Name3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide
PubChem CID43101815
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide
SMILESCC(N)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C13H20N2O2S/c1-10(14)11-5-4-8-13(9-11)18(16,17)15-12-6-2-3-7-12/h4-5,8-10,12,15H,2-3,6-7,14H2,1H3
InChIKeyCASJCTQRKWFXOI-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-aminoethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 55190032
4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide
CID 43167801
3-(1-aminoethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61464998
3-(2-bromo-1-hydroxyethyl)-N-cyclohexylbenzenesulfonamide
CID 67130398
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018
N-cyclohexyl-3-methylsulfonylbenzenesulfonamide
CID 6462647
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
3-(1-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide
CID 64916220
3-(1-aminoethyl)-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43267394
N-[3-(cyclohexylsulfamoyl)phenyl]acetamide
CID 47314930
3-(cycloheptylsulfamoyl)benzenecarbothioamide
CID 43346188
N-[1-(3-chlorophenyl)ethyl]-3-(cyclopentylsulfamoyl)benzamide
CID 46671519

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide?
The IUPAC name of 3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide (CID 43101815) is 3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide.
What is the SMILES notation for 3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide?
The canonical SMILES for 3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide is CC(N)c1cccc(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of 3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide?
The InChIKey is CASJCTQRKWFXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10(14)11-5-4-8-13(9-11)18(16,17)15-12-6-2-3-7-12/h4-5,8-10,12,15H,2-3,6-7,14H2,1H3.
What are the key properties of 3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide?
3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide 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-aminoethyl)-N-cyclopentylbenzenesulfonamide is sourced from PubChem (CID 43101815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).