5-(ethylaminomethyl)-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide

C14H24N2O2S3 — CID 106091338

IUPAC5-(ethylaminomethyl)-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NC2CCCC(SC)C2)s1
InChIInChI=1S/C14H24N2O2S3/c1-3-15-10-13-7-8-14(20-13)21(17,18)16-11-5-4-6-12(9-11)19-2/h7-8,11-12,15-16H,3-6,9-10H2,1-2H3
InChIKeyGYHVNHWHBQGGLT-UHFFFAOYSA-N
MW348.56 g/mol
LogP2.81
Rot. Bonds7

About 5-(ethylaminomethyl)-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide

5-(ethylaminomethyl)-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide (PubChem CID 106091338) has the molecular formula C14H24N2O2S3 and a molecular weight of 348.56 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
PubChem CID106091338
Molecular FormulaC14H24N2O2S3
Molecular Weight348.56 g/mol
Exact Mass348.10
IUPAC Name5-(ethylaminomethyl)-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NC2CCCC(SC)C2)s1
InChIInChI=1S/C14H24N2O2S3/c1-3-15-10-13-7-8-14(20-13)21(17,18)16-11-5-4-6-12(9-11)19-2/h7-8,11-12,15-16H,3-6,9-10H2,1-2H3
InChIKeyGYHVNHWHBQGGLT-UHFFFAOYSA-N
XLogP2.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.56
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(methylamino)ethyl]-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106091389
5-(ethylaminomethyl)-4-methyl-N-(3-methylsulfanylcyclopentyl)thiophene-2-sulfonamide
CID 106092143
N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009
5-(methylaminomethyl)-N-(3-methylcyclopentyl)thiophene-2-sulfonamide
CID 114551883
5-[2-(ethylamino)ethyl]-N-(oxan-3-yl)thiophene-2-sulfonamide
CID 106065228
5-(aminomethyl)-2-methyl-N-(3-methylsulfanylcyclohexyl)thiophene-3-sulfonamide
CID 106091372
5-[(cyclopropylamino)methyl]-N-(thian-3-yl)thiophene-2-sulfonamide
CID 106081562
5-(methylaminomethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide
CID 106065205
5-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
CID 106074733
methyl 2-[5-[[(3-methylsulfanylcyclohexyl)amino]methyl]thiophen-2-yl]acetate
CID 103923019
N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106066943
5-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 106078061

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide (CID 106091338) is 5-(ethylaminomethyl)-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide is CCNCc1ccc(S(=O)(=O)NC2CCCC(SC)C2)s1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide?
The InChIKey is GYHVNHWHBQGGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S3/c1-3-15-10-13-7-8-14(20-13)21(17,18)16-11-5-4-6-12(9-11)19-2/h7-8,11-12,15-16H,3-6,9-10H2,1-2H3.
What are the key properties of 5-(ethylaminomethyl)-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide?
5-(ethylaminomethyl)-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide has a molecular weight of 348.56 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106091338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).