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

C15H23NO2S2 — CID 62526504

IUPACN-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESCC1CCCC(CO)(NC(=O)CSCc2cccs2)C1
InChIInChI=1S/C15H23NO2S2/c1-12-4-2-6-15(8-12,11-17)16-14(18)10-19-9-13-5-3-7-20-13/h3,5,7,12,17H,2,4,6,8-11H2,1H3,(H,16,18)
InChIKeySQHFJDQTSBWFQS-UHFFFAOYSA-N
MW313.49 g/mol
LogP3.04
Rot. Bonds6

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

N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide (PubChem CID 62526504) has the molecular formula C15H23NO2S2 and a molecular weight of 313.49 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
PubChem CID62526504
Molecular FormulaC15H23NO2S2
Molecular Weight313.49 g/mol
Exact Mass313.12
IUPAC NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESCC1CCCC(CO)(NC(=O)CSCc2cccs2)C1
InChIInChI=1S/C15H23NO2S2/c1-12-4-2-6-15(8-12,11-17)16-14(18)10-19-9-13-5-3-7-20-13/h3,5,7,12,17H,2,4,6,8-11H2,1H3,(H,16,18)
InChIKeySQHFJDQTSBWFQS-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide 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

N-[1-(hydroxymethyl)cyclopropyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 115877656
4-methyl-1-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43172601
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 65124207
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide
CID 76946061
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide
CID 62527359
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-thiophen-3-ylacetamide
CID 62526838
(2R)-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid
CID 78972918
N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 60645758
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(4-methylphenyl)acetamide
CID 62527537
3-ethyl-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 62527564
1-[[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312042
3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 80641116

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide (CID 62526504) is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide is CC1CCCC(CO)(NC(=O)CSCc2cccs2)C1.
What is the InChIKey of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The InChIKey is SQHFJDQTSBWFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S2/c1-12-4-2-6-15(8-12,11-17)16-14(18)10-19-9-13-5-3-7-20-13/h3,5,7,12,17H,2,4,6,8-11H2,1H3,(H,16,18).
What are the key properties of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide?
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide has a molecular weight of 313.49 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 62526504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).