2-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]acetamide

C13H25NO2S — CID 65113756

IUPAC2-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]acetamide
SMILESCCCCSCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C13H25NO2S/c1-2-3-9-17-10-12(15)14-11-13(16)7-5-4-6-8-13/h16H,2-11H2,1H3,(H,14,15)
InChIKeyVOARMKFYKJWGPI-UHFFFAOYSA-N
MW259.41 g/mol
LogP2.33
Rot. Bonds7

About 2-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]acetamide

2-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]acetamide (PubChem CID 65113756) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 2-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]acetamide
PubChem CID65113756
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name2-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]acetamide
SMILESCCCCSCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C13H25NO2S/c1-2-3-9-17-10-12(15)14-11-13(16)7-5-4-6-8-13/h16H,2-11H2,1H3,(H,14,15)
InChIKeyVOARMKFYKJWGPI-UHFFFAOYSA-N
XLogP2.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]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-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethylsulfanyl)acetamide
CID 109886593
N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]thiolane-2-carboxamide
CID 154842835
N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 46222403
N-[2-(1-hydroxycyclohexyl)ethyl]-2-sulfanylacetamide
CID 154185215
2-(cyclopentylthio)-N-((1-hydroxycyclopentyl)methyl)acetamide
CID 49754480
1-[[(2-Methyl-3-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol
CID 63964311
1-[(3-Methylsulfanylpropylamino)methyl]cyclohexan-1-ol
CID 63966266
1-[(2-Methylsulfanylethylamino)methyl]cyclohexan-1-ol
CID 63966669
3-(2-amino-2-oxoethyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 64195029
N-[(1-hydroxycyclopentyl)methyl]-3-methylsulfanylpropanamide
CID 64195357
N-[(1-hydroxycyclopentyl)methyl]-2-(2-methoxyethylsulfanyl)acetamide
CID 64195687
2-tert-butylsulfanyl-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 64196205

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of 2-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]acetamide (CID 65113756) is 2-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for 2-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]acetamide is CCCCSCC(=O)NCC1(O)CCCCC1.
What is the InChIKey of 2-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is VOARMKFYKJWGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-2-3-9-17-10-12(15)14-11-13(16)7-5-4-6-8-13/h16H,2-11H2,1H3,(H,14,15).
What are the key properties of 2-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]acetamide?
2-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 259.41 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 65113756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).