5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methylthiophene-3-sulfonamide

C14H24N2O2S2 — CID 106053111

IUPAC5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methylthiophene-3-sulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2cc(CN)sc2C)CC1
InChIInChI=1S/C14H24N2O2S2/c1-3-11-4-6-12(7-5-11)16-20(17,18)14-8-13(9-15)19-10(14)2/h8,11-12,16H,3-7,9,15H2,1-2H3
InChIKeyBVDIGPRXQMIXNV-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.76
Rot. Bonds5

About 5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methylthiophene-3-sulfonamide

5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methylthiophene-3-sulfonamide (PubChem CID 106053111) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methylthiophene-3-sulfonamide
PubChem CID106053111
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC Name5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methylthiophene-3-sulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2cc(CN)sc2C)CC1
InChIInChI=1S/C14H24N2O2S2/c1-3-11-4-6-12(7-5-11)16-20(17,18)14-8-13(9-15)19-10(14)2/h8,11-12,16H,3-7,9,15H2,1-2H3
InChIKeyBVDIGPRXQMIXNV-UHFFFAOYSA-N
XLogP2.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-ethylcyclohexyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63329133
5-(aminomethyl)-2-methyl-N-(3-methylsulfanylcyclohexyl)thiophene-3-sulfonamide
CID 106091372
5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-2-methylthiophene-3-sulfonamide
CID 106092486
5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106053054
5-(aminomethyl)-2-bromo-N-(4-ethylcyclohexyl)benzenesulfonamide
CID 106053096
N-(4-aminocyclohexyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 119970502
3-amino-5-chloro-N-(4-ethylcyclohexyl)-2-methylbenzenesulfonamide
CID 114379325
5-(aminomethyl)-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-3-sulfonamide
CID 106067327
5-(aminomethyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106088377
5-(aminomethyl)-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 106088723
5-(aminomethyl)-N-(2-ethoxypropyl)-2-methylthiophene-3-sulfonamide
CID 106078844
5-(aminomethyl)-2-methyl-N-(4-propylphenyl)thiophene-3-sulfonamide
CID 106026493

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methylthiophene-3-sulfonamide (CID 106053111) is 5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methylthiophene-3-sulfonamide is CCC1CCC(NS(=O)(=O)c2cc(CN)sc2C)CC1.
What is the InChIKey of 5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methylthiophene-3-sulfonamide?
The InChIKey is BVDIGPRXQMIXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-3-11-4-6-12(7-5-11)16-20(17,18)14-8-13(9-15)19-10(14)2/h8,11-12,16H,3-7,9,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methylthiophene-3-sulfonamide?
5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methylthiophene-3-sulfonamide has a molecular weight of 316.49 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106053111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).