2,2-dimethyl-6-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-one

C13H25NOS — CID 112664506

IUPAC2,2-dimethyl-6-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-one
SMILESCSCCN(C)CC1CCCC(C)(C)C1=O
InChIInChI=1S/C13H25NOS/c1-13(2)7-5-6-11(12(13)15)10-14(3)8-9-16-4/h11H,5-10H2,1-4H3
InChIKeyUIZZUPQRSAYJSN-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.68
Rot. Bonds5

About 2,2-dimethyl-6-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-one

2,2-dimethyl-6-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-one (PubChem CID 112664506) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is 2,2-dimethyl-6-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-6-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-one
PubChem CID112664506
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name2,2-dimethyl-6-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-one
SMILESCSCCN(C)CC1CCCC(C)(C)C1=O
InChIInChI=1S/C13H25NOS/c1-13(2)7-5-6-11(12(13)15)10-14(3)8-9-16-4/h11H,5-10H2,1-4H3
InChIKeyUIZZUPQRSAYJSN-UHFFFAOYSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-6-[[methyl(2-methylsulfanylethyl)amino]methyl]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 2,2-dimethyl-6-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 2,2-dimethyl-6-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-one (CID 112664506) is 2,2-dimethyl-6-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 2,2-dimethyl-6-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 2,2-dimethyl-6-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-one is CSCCN(C)CC1CCCC(C)(C)C1=O.
What is the InChIKey of 2,2-dimethyl-6-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-one?
The InChIKey is UIZZUPQRSAYJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-13(2)7-5-6-11(12(13)15)10-14(3)8-9-16-4/h11H,5-10H2,1-4H3.
What are the key properties of 2,2-dimethyl-6-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-one?
2,2-dimethyl-6-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-one has a molecular weight of 243.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 112664506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).