N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-thiophen-3-ylacetamide

C14H21NO2S — CID 62526838

IUPACN-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-thiophen-3-ylacetamide
SMILESCC1CCCC(CO)(NC(=O)Cc2ccsc2)C1
InChIInChI=1S/C14H21NO2S/c1-11-3-2-5-14(8-11,10-16)15-13(17)7-12-4-6-18-9-12/h4,6,9,11,16H,2-3,5,7-8,10H2,1H3,(H,15,17)
InChIKeyIEINTQJXIQWTKY-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.35
Rot. Bonds4

About N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-thiophen-3-ylacetamide

N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-thiophen-3-ylacetamide (PubChem CID 62526838) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-thiophen-3-ylacetamide
PubChem CID62526838
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-thiophen-3-ylacetamide
SMILESCC1CCCC(CO)(NC(=O)Cc2ccsc2)C1
InChIInChI=1S/C14H21NO2S/c1-11-3-2-5-14(8-11,10-16)15-13(17)7-12-4-6-18-9-12/h4,6,9,11,16H,2-3,5,7-8,10H2,1H3,(H,15,17)
InChIKeyIEINTQJXIQWTKY-UHFFFAOYSA-N
XLogP2.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(4-methylphenyl)acetamide
CID 62527537
N-[1-(bromomethyl)-4-methylcyclohexyl]-2-thiophen-3-ylacetamide
CID 114315050
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1H-pyrazol-5-yl)acetamide
CID 79139213
3-ethyl-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 62527564
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-thiazole-4-carboxamide
CID 63022352
3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 80641116
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(4-methylphenoxy)acetamide
CID 62527385
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbutanamide
CID 62527367
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 62526504
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylsulfonylpropanamide
CID 62525990
1-methyl-2-[(2-thiophen-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 82759950
2,6-dihydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 107690075

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-thiophen-3-ylacetamide (CID 62526838) is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-thiophen-3-ylacetamide is CC1CCCC(CO)(NC(=O)Cc2ccsc2)C1.
What is the InChIKey of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-thiophen-3-ylacetamide?
The InChIKey is IEINTQJXIQWTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11-3-2-5-14(8-11,10-16)15-13(17)7-12-4-6-18-9-12/h4,6,9,11,16H,2-3,5,7-8,10H2,1H3,(H,15,17).
What are the key properties of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-thiophen-3-ylacetamide?
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-thiophen-3-ylacetamide has a molecular weight of 267.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 62526838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).