N-[(4-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide

C11H21NO2S — CID 106122099

IUPACN-[(4-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCC1CCC(O)CC1
InChIInChI=1S/C11H21NO2S/c1-15-7-6-11(14)12-8-9-2-4-10(13)5-3-9/h9-10,13H,2-8H2,1H3,(H,12,14)
InChIKeyPURHWKQWPHHWTI-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.41
Rot. Bonds5

About N-[(4-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide

N-[(4-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide (PubChem CID 106122099) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide
PubChem CID106122099
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCC1CCC(O)CC1
InChIInChI=1S/C11H21NO2S/c1-15-7-6-11(14)12-8-9-2-4-10(13)5-3-9/h9-10,13H,2-8H2,1H3,(H,12,14)
InChIKeyPURHWKQWPHHWTI-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(4-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide (CID 106122099) is N-[(4-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide is CSCCC(=O)NCC1CCC(O)CC1.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide?
The InChIKey is PURHWKQWPHHWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-15-7-6-11(14)12-8-9-2-4-10(13)5-3-9/h9-10,13H,2-8H2,1H3,(H,12,14).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide?
N-[(4-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide has a molecular weight of 231.36 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 106122099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).