3-(aminomethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide

C14H22N2O2S — CID 43541173

IUPAC3-(aminomethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide
SMILESCCN(C1CCCC1)S(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C14H22N2O2S/c1-2-16(13-7-3-4-8-13)19(17,18)14-9-5-6-12(10-14)11-15/h5-6,9-10,13H,2-4,7-8,11,15H2,1H3
InChIKeyGALBRENCXSHLCE-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.10
Rot. Bonds5

About 3-(aminomethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide

3-(aminomethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide (PubChem CID 43541173) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-(aminomethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide
PubChem CID43541173
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-(aminomethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide
SMILESCCN(C1CCCC1)S(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C14H22N2O2S/c1-2-16(13-7-3-4-8-13)19(17,18)14-9-5-6-12(10-14)11-15/h5-6,9-10,13H,2-4,7-8,11,15H2,1H3
InChIKeyGALBRENCXSHLCE-UHFFFAOYSA-N
XLogP2.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-cyclopentyl-N-ethyl-4-fluorobenzenesulfonamide
CID 63287839
3-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 61446778
4-(aminomethyl)-N-cyclohexyl-N-ethyl-3-methylbenzenesulfonamide
CID 106919020
3-[cyclopropyl(ethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791269
3-(aminomethyl)-N-ethyl-N-propan-2-ylbenzenesulfonamide
CID 43265789
3-(aminomethyl)-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 54884408
N-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide
CID 87024719
3-amino-4-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43096949
N-(2-aminoethyl)-N-cyclohexyl-3-methylbenzenesulfonamide
CID 28708333
3-amino-N-cyclopentyl-N-ethyl-4-methoxybenzenesulfonamide
CID 43540778
3-(aminomethyl)-N,N-dipropylbenzenesulfonamide
CID 16791515
1-[3-(aminomethyl)phenyl]-N-cyclohexyl-N-methylmethanesulfonamide
CID 60978989

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide (CID 43541173) is 3-(aminomethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide is CCN(C1CCCC1)S(=O)(=O)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide?
The InChIKey is GALBRENCXSHLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-16(13-7-3-4-8-13)19(17,18)14-9-5-6-12(10-14)11-15/h5-6,9-10,13H,2-4,7-8,11,15H2,1H3.
What are the key properties of 3-(aminomethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide?
3-(aminomethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide is sourced from PubChem (CID 43541173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).