2-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]thiophene-3-sulfonamide

C14H24N2O2S2 — CID 106012613

IUPAC2-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]thiophene-3-sulfonamide
SMILESCCC1CCC(CNS(=O)(=O)c2ccsc2CN)CC1
InChIInChI=1S/C14H24N2O2S2/c1-2-11-3-5-12(6-4-11)10-16-20(17,18)14-7-8-19-13(14)9-15/h7-8,11-12,16H,2-6,9-10,15H2,1H3
InChIKeyBCBUJGYVBSGJOG-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.70
Rot. Bonds6

About 2-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]thiophene-3-sulfonamide

2-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]thiophene-3-sulfonamide (PubChem CID 106012613) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]thiophene-3-sulfonamide
PubChem CID106012613
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC Name2-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]thiophene-3-sulfonamide
SMILESCCC1CCC(CNS(=O)(=O)c2ccsc2CN)CC1
InChIInChI=1S/C14H24N2O2S2/c1-2-11-3-5-12(6-4-11)10-16-20(17,18)14-7-8-19-13(14)9-15/h7-8,11-12,16H,2-6,9-10,15H2,1H3
InChIKeyBCBUJGYVBSGJOG-UHFFFAOYSA-N
XLogP2.70
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106026704
2-(aminomethyl)-N-(2,2,3-trimethylbutyl)thiophene-3-sulfonamide
CID 114102326
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide
CID 106032375
2-(aminomethyl)-N-(2-methylcyclohexyl)thiophene-3-sulfonamide
CID 114132163
N-[(4-ethylcyclohexyl)methyl]-2-(methylamino)benzenesulfonamide
CID 62152226
2-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide
CID 106023220
2-amino-5-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide
CID 63402228
2-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide
CID 106092082
2-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-3-sulfonamide
CID 114141469
2-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide
CID 106073737
2-(aminomethyl)-N-(2,2-dimethylcyclopentyl)thiophene-3-sulfonamide
CID 106071021
2-(methylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide
CID 106072195

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]thiophene-3-sulfonamide (CID 106012613) is 2-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]thiophene-3-sulfonamide is CCC1CCC(CNS(=O)(=O)c2ccsc2CN)CC1.
What is the InChIKey of 2-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]thiophene-3-sulfonamide?
The InChIKey is BCBUJGYVBSGJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-2-11-3-5-12(6-4-11)10-16-20(17,18)14-7-8-19-13(14)9-15/h7-8,11-12,16H,2-6,9-10,15H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]thiophene-3-sulfonamide?
2-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]thiophene-3-sulfonamide has a molecular weight of 316.49 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106012613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).