3-(1-aminoethyl)-N-cyclopentyl-N-methylbenzenesulfonamide

C14H22N2O2S — CID 43267394

IUPAC3-(1-aminoethyl)-N-cyclopentyl-N-methylbenzenesulfonamide
SMILESCC(N)c1cccc(S(=O)(=O)N(C)C2CCCC2)c1
InChIInChI=1S/C14H22N2O2S/c1-11(15)12-6-5-9-14(10-12)19(17,18)16(2)13-7-3-4-8-13/h5-6,9-11,13H,3-4,7-8,15H2,1-2H3
InChIKeyMEYZJPSHCPPFJB-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.27
Rot. Bonds4

About 3-(1-aminoethyl)-N-cyclopentyl-N-methylbenzenesulfonamide

3-(1-aminoethyl)-N-cyclopentyl-N-methylbenzenesulfonamide (PubChem CID 43267394) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-(1-aminoethyl)-N-cyclopentyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(1-aminoethyl)-N-cyclopentyl-N-methylbenzenesulfonamide
PubChem CID43267394
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-(1-aminoethyl)-N-cyclopentyl-N-methylbenzenesulfonamide
SMILESCC(N)c1cccc(S(=O)(=O)N(C)C2CCCC2)c1
InChIInChI=1S/C14H22N2O2S/c1-11(15)12-6-5-9-14(10-12)19(17,18)16(2)13-7-3-4-8-13/h5-6,9-11,13H,3-4,7-8,15H2,1-2H3
InChIKeyMEYZJPSHCPPFJB-UHFFFAOYSA-N
XLogP2.27
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-aminoethyl)-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43265234
3-(1-aminoethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82739570
4-(1-aminoethyl)-N-cyclohexyl-N-methylbenzenesulfonamide
CID 43110382
3-(1-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82739106
N-cyclohexyl-3-fluoro-N-methylbenzenesulfonamide
CID 78786922
3-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107399516
3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide
CID 43101815
N-(2-hydroxycyclohexyl)-3-(1-hydroxyethyl)-N-methylbenzenesulfonamide
CID 102635778
(2S)-2-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-3-methylbutanoic acid
CID 9291692
3-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213252
3-cyano-N-cyclopentyl-N-methylbenzenesulfonamide
CID 18121874
(2S,3S)-2-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-3-hydroxybutanoic acid
CID 25489125

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-N-cyclopentyl-N-methylbenzenesulfonamide?
The IUPAC name of 3-(1-aminoethyl)-N-cyclopentyl-N-methylbenzenesulfonamide (CID 43267394) is 3-(1-aminoethyl)-N-cyclopentyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-(1-aminoethyl)-N-cyclopentyl-N-methylbenzenesulfonamide?
The canonical SMILES for 3-(1-aminoethyl)-N-cyclopentyl-N-methylbenzenesulfonamide is CC(N)c1cccc(S(=O)(=O)N(C)C2CCCC2)c1.
What is the InChIKey of 3-(1-aminoethyl)-N-cyclopentyl-N-methylbenzenesulfonamide?
The InChIKey is MEYZJPSHCPPFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(15)12-6-5-9-14(10-12)19(17,18)16(2)13-7-3-4-8-13/h5-6,9-11,13H,3-4,7-8,15H2,1-2H3.
What are the key properties of 3-(1-aminoethyl)-N-cyclopentyl-N-methylbenzenesulfonamide?
3-(1-aminoethyl)-N-cyclopentyl-N-methylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-N-cyclopentyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 43267394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).