2-(3-methylsulfonylthiomorpholin-4-yl)cyclohexane-1-carbonitrile

C12H20N2O2S2 — CID 66381997

IUPAC2-(3-methylsulfonylthiomorpholin-4-yl)cyclohexane-1-carbonitrile
SMILESCS(=O)(=O)C1CSCCN1C1CCCCC1C#N
InChIInChI=1S/C12H20N2O2S2/c1-18(15,16)12-9-17-7-6-14(12)11-5-3-2-4-10(11)8-13/h10-12H,2-7,9H2,1H3
InChIKeyVCEYFAVKXFXHKP-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.49
Rot. Bonds2

About 2-(3-methylsulfonylthiomorpholin-4-yl)cyclohexane-1-carbonitrile

2-(3-methylsulfonylthiomorpholin-4-yl)cyclohexane-1-carbonitrile (PubChem CID 66381997) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(3-methylsulfonylthiomorpholin-4-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(3-methylsulfonylthiomorpholin-4-yl)cyclohexane-1-carbonitrile
PubChem CID66381997
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name2-(3-methylsulfonylthiomorpholin-4-yl)cyclohexane-1-carbonitrile
SMILESCS(=O)(=O)C1CSCCN1C1CCCCC1C#N
InChIInChI=1S/C12H20N2O2S2/c1-18(15,16)12-9-17-7-6-14(12)11-5-3-2-4-10(11)8-13/h10-12H,2-7,9H2,1H3
InChIKeyVCEYFAVKXFXHKP-UHFFFAOYSA-N
XLogP1.49
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-methylsulfonylthiomorpholin-4-yl)cyclohexane-1-carbonitrile 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

trans-(1R,2R)-2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-ol
CID 102734831
2-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol
CID 66375579
2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one
CID 66382025
3-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-one
CID 79644116
[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methanamine
CID 81004713
N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]ethanamine
CID 81004886
2-methyl-N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-1-amine
CID 81004535
1-(3-methylsulfonylthiomorpholine-4-carbonyl)cycloheptane-1-carbonitrile
CID 66384599
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cycloheptane-1-carbonitrile
CID 102883430
3-methylsulfonylthiomorpholine-4-carbaldehyde
CID 66381931
5-(3-methylsulfonylthiomorpholin-4-yl)pyrazine-2-carbonitrile
CID 66383257
N'-cyclopentyl-3-methylsulfonylthiomorpholine-4-carboximidamide
CID 66384795

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfonylthiomorpholin-4-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 2-(3-methylsulfonylthiomorpholin-4-yl)cyclohexane-1-carbonitrile (CID 66381997) is 2-(3-methylsulfonylthiomorpholin-4-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(3-methylsulfonylthiomorpholin-4-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 2-(3-methylsulfonylthiomorpholin-4-yl)cyclohexane-1-carbonitrile is CS(=O)(=O)C1CSCCN1C1CCCCC1C#N.
What is the InChIKey of 2-(3-methylsulfonylthiomorpholin-4-yl)cyclohexane-1-carbonitrile?
The InChIKey is VCEYFAVKXFXHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-18(15,16)12-9-17-7-6-14(12)11-5-3-2-4-10(11)8-13/h10-12H,2-7,9H2,1H3.
What are the key properties of 2-(3-methylsulfonylthiomorpholin-4-yl)cyclohexane-1-carbonitrile?
2-(3-methylsulfonylthiomorpholin-4-yl)cyclohexane-1-carbonitrile has a molecular weight of 288.44 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfonylthiomorpholin-4-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 66381997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).