3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide

C13H18ClNO2S — CID 80641116

IUPAC3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
SMILESCC1CCCC(CO)(NC(=O)c2sccc2Cl)C1
InChIInChI=1S/C13H18ClNO2S/c1-9-3-2-5-13(7-9,8-16)15-12(17)11-10(14)4-6-18-11/h4,6,9,16H,2-3,5,7-8H2,1H3,(H,15,17)
InChIKeyBPBZEDQLYSXGOQ-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.07
Rot. Bonds3

About 3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide

3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide (PubChem CID 80641116) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is 3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
PubChem CID80641116
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
SMILESCC1CCCC(CO)(NC(=O)c2sccc2Cl)C1
InChIInChI=1S/C13H18ClNO2S/c1-9-3-2-5-13(7-9,8-16)15-12(17)11-10(14)4-6-18-11/h4,6,9,16H,2-3,5,7-8H2,1H3,(H,15,17)
InChIKeyBPBZEDQLYSXGOQ-UHFFFAOYSA-N
XLogP3.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 62527564
2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62527722
5-bromo-2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62525811
2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylbenzamide
CID 106861928
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methoxybenzamide
CID 62527012
2,6-dihydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 107690075
5-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 62527720
4-chloro-2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62526326
6-(dimethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyridine-3-carboxamide
CID 62526158
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-thiazole-4-carboxamide
CID 63022352
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-thiophen-3-ylacetamide
CID 62526838
5-acetamido-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 62526831

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide (CID 80641116) is 3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide is CC1CCCC(CO)(NC(=O)c2sccc2Cl)C1.
What is the InChIKey of 3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide?
The InChIKey is BPBZEDQLYSXGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-9-3-2-5-13(7-9,8-16)15-12(17)11-10(14)4-6-18-11/h4,6,9,16H,2-3,5,7-8H2,1H3,(H,15,17).
What are the key properties of 3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide?
3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide has a molecular weight of 287.81 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 80641116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).