N-(2-aminoethyl)-N-cyclohexyl-3-methylbenzenesulfonamide

C15H24N2O2S — CID 28708333

IUPACN-(2-aminoethyl)-N-cyclohexyl-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(CCN)C2CCCCC2)c1
InChIInChI=1S/C15H24N2O2S/c1-13-6-5-9-15(12-13)20(18,19)17(11-10-16)14-7-3-2-4-8-14/h5-6,9,12,14H,2-4,7-8,10-11,16H2,1H3
InChIKeyIGPYLZBDPRANGI-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.28
Rot. Bonds5

About N-(2-aminoethyl)-N-cyclohexyl-3-methylbenzenesulfonamide

N-(2-aminoethyl)-N-cyclohexyl-3-methylbenzenesulfonamide (PubChem CID 28708333) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclohexyl-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclohexyl-3-methylbenzenesulfonamide
PubChem CID28708333
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-(2-aminoethyl)-N-cyclohexyl-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(CCN)C2CCCCC2)c1
InChIInChI=1S/C15H24N2O2S/c1-13-6-5-9-15(12-13)20(18,19)17(11-10-16)14-7-3-2-4-8-14/h5-6,9,12,14H,2-4,7-8,10-11,16H2,1H3
InChIKeyIGPYLZBDPRANGI-UHFFFAOYSA-N
XLogP2.28
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-cyclopentyl-4-methylbenzenesulfonamide
CID 63765049
N-(2-aminoethyl)-N-cyclohexyl-4-fluorobenzenesulfonamide
CID 28708327
N-(2-aminoethyl)-N,3-dimethylbenzenesulfonamide
CID 28707580
N-cyclopropyl-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496096
3-(aminomethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43541173
N-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide
CID 61350715
N-(3-aminopropyl)-N-cyclopropyl-3-fluorobenzenesulfonamide
CID 43136997
N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzenesulfonamide
CID 81265308
N-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide
CID 102639357
N-(3-aminopropyl)-N-cyclobutyl-3,4-difluorobenzenesulfonamide
CID 102874362
[2-(3-methylphenyl)sulfonylcycloheptyl]methanamine
CID 64698481
N-(2-aminoethyl)-N-cyclopentyl-3-methylbenzamide
CID 55241758

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclohexyl-3-methylbenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclohexyl-3-methylbenzenesulfonamide (CID 28708333) is N-(2-aminoethyl)-N-cyclohexyl-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclohexyl-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclohexyl-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)N(CCN)C2CCCCC2)c1.
What is the InChIKey of N-(2-aminoethyl)-N-cyclohexyl-3-methylbenzenesulfonamide?
The InChIKey is IGPYLZBDPRANGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-13-6-5-9-15(12-13)20(18,19)17(11-10-16)14-7-3-2-4-8-14/h5-6,9,12,14H,2-4,7-8,10-11,16H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-cyclohexyl-3-methylbenzenesulfonamide?
N-(2-aminoethyl)-N-cyclohexyl-3-methylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-cyclohexyl-3-methylbenzenesulfonamide is sourced from PubChem (CID 28708333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).