4-methyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-one

C12H21NOS — CID 62613183

IUPAC4-methyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-one
SMILESCC1CCC(=O)C(CN2CCSCC2)C1
InChIInChI=1S/C12H21NOS/c1-10-2-3-12(14)11(8-10)9-13-4-6-15-7-5-13/h10-11H,2-9H2,1H3
InChIKeyKLRUBHVVMIRGGG-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.04
Rot. Bonds2

About 4-methyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-one

4-methyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-one (PubChem CID 62613183) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 4-methyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-methyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-one
PubChem CID62613183
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name4-methyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-one
SMILESCC1CCC(=O)C(CN2CCSCC2)C1
InChIInChI=1S/C12H21NOS/c1-10-2-3-12(14)11(8-10)9-13-4-6-15-7-5-13/h10-11H,2-9H2,1H3
InChIKeyKLRUBHVVMIRGGG-UHFFFAOYSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-one 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 4-methyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-one?
The IUPAC name of 4-methyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-one (CID 62613183) is 4-methyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-one.
What is the SMILES notation for 4-methyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-one?
The canonical SMILES for 4-methyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-one is CC1CCC(=O)C(CN2CCSCC2)C1.
What is the InChIKey of 4-methyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-one?
The InChIKey is KLRUBHVVMIRGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-10-2-3-12(14)11(8-10)9-13-4-6-15-7-5-13/h10-11H,2-9H2,1H3.
What are the key properties of 4-methyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-one?
4-methyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-one has a molecular weight of 227.37 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-one is sourced from PubChem (CID 62613183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).