4-methyl-3-(3-methylthiomorpholin-4-yl)cyclohexan-1-one

C12H21NOS — CID 165492165

IUPAC4-methyl-3-(3-methylthiomorpholin-4-yl)cyclohexan-1-one
SMILESCC1CCC(=O)CC1N1CCSCC1C
InChIInChI=1S/C12H21NOS/c1-9-3-4-11(14)7-12(9)13-5-6-15-8-10(13)2/h9-10,12H,3-8H2,1-2H3
InChIKeyQBXZVILKBBTPOP-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.18
Rot. Bonds1

About 4-methyl-3-(3-methylthiomorpholin-4-yl)cyclohexan-1-one

4-methyl-3-(3-methylthiomorpholin-4-yl)cyclohexan-1-one (PubChem CID 165492165) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 4-methyl-3-(3-methylthiomorpholin-4-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-methyl-3-(3-methylthiomorpholin-4-yl)cyclohexan-1-one
PubChem CID165492165
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name4-methyl-3-(3-methylthiomorpholin-4-yl)cyclohexan-1-one
SMILESCC1CCC(=O)CC1N1CCSCC1C
InChIInChI=1S/C12H21NOS/c1-9-3-4-11(14)7-12(9)13-5-6-15-8-10(13)2/h9-10,12H,3-8H2,1-2H3
InChIKeyQBXZVILKBBTPOP-UHFFFAOYSA-N
XLogP2.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-(3-methylthiomorpholin-4-yl)cyclopentan-1-ol
CID 102734775
4-methyl-3-(3-methylpyrrolidin-1-yl)cyclohexan-1-one
CID 165492170
2-methyl-1-(2-methylcyclopentyl)piperidin-4-one
CID 63281253
3-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one
CID 79644116
1-(2,4-dimethylcyclohexyl)-2-methylpiperidin-4-one
CID 63996295
N-methyl-1-[2-(3-methylthiomorpholin-4-yl)cyclobutyl]methanamine
CID 81005831
3,4-dimethylcyclohexan-1-one;ethane
CID 142187716
1-(2-methyl-5-oxocyclohexyl)pyrimidin-2-one
CID 165499291
3-[3-[(1S)-1-hydroxyethyl]azetidin-1-yl]-4-methylcyclohexan-1-one
CID 165496137
ethane;3-methylcyclopentan-1-one
CID 142926670
2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one
CID 66382025
1-methyl-2,3,8,8a-tetrahydro-1H-indolizine-5,7-dione
CID 151645109

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-methylthiomorpholin-4-yl)cyclohexan-1-one?
The IUPAC name of 4-methyl-3-(3-methylthiomorpholin-4-yl)cyclohexan-1-one (CID 165492165) is 4-methyl-3-(3-methylthiomorpholin-4-yl)cyclohexan-1-one.
What is the SMILES notation for 4-methyl-3-(3-methylthiomorpholin-4-yl)cyclohexan-1-one?
The canonical SMILES for 4-methyl-3-(3-methylthiomorpholin-4-yl)cyclohexan-1-one is CC1CCC(=O)CC1N1CCSCC1C.
What is the InChIKey of 4-methyl-3-(3-methylthiomorpholin-4-yl)cyclohexan-1-one?
The InChIKey is QBXZVILKBBTPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-9-3-4-11(14)7-12(9)13-5-6-15-8-10(13)2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 4-methyl-3-(3-methylthiomorpholin-4-yl)cyclohexan-1-one?
4-methyl-3-(3-methylthiomorpholin-4-yl)cyclohexan-1-one has a molecular weight of 227.37 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-methylthiomorpholin-4-yl)cyclohexan-1-one is sourced from PubChem (CID 165492165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).