3-methylsulfonylpiperidine-3-carbonitrile

C7H12N2O2S — CID 169170088

IUPAC3-methylsulfonylpiperidine-3-carbonitrile
SMILESCS(=O)(=O)C1(C#N)CCCNC1
InChIInChI=1S/C7H12N2O2S/c1-12(10,11)7(5-8)3-2-4-9-6-7/h9H,2-4,6H2,1H3
InChIKeyJSUYSWKPKXFFGN-UHFFFAOYSA-N
MW188.25 g/mol
LogP-0.32
Rot. Bonds1

About 3-methylsulfonylpiperidine-3-carbonitrile

3-methylsulfonylpiperidine-3-carbonitrile (PubChem CID 169170088) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 3-methylsulfonylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name3-methylsulfonylpiperidine-3-carbonitrile
PubChem CID169170088
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name3-methylsulfonylpiperidine-3-carbonitrile
SMILESCS(=O)(=O)C1(C#N)CCCNC1
InChIInChI=1S/C7H12N2O2S/c1-12(10,11)7(5-8)3-2-4-9-6-7/h9H,2-4,6H2,1H3
InChIKeyJSUYSWKPKXFFGN-UHFFFAOYSA-N
XLogP-0.32
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methylsulfonylpiperidine-3-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

4-methylsulfonyloxane-4-carbonitrile
CID 62474179
3-aminopiperidine-3-carbonitrile
CID 79303333
1-ethynyl-1-methylsulfonylcyclobutane
CID 155977808
3-(2-methylsulfonylethyl)piperidin-3-ol
CID 65145784
2-[(3S)-3-methylpiperidin-3-yl]acetonitrile;hydrochloride
CID 175981962
ethane;(3S)-3-methylpyrrolidine-3-carbonitrile
CID 172607347
3-(cyclopropylamino)piperidine-3-carbonitrile
CID 79308453
1-methylsulfonyl-1,8-diazaspiro[5.5]undecane
CID 121229647
(3S)-3-fluoro-3-methylpiperidine
CID 97009658
1-(4-methylphenyl)sulfonylcyclohexane-1-carbonitrile
CID 43419784
(3S)-3-methylpiperidin-3-ol;hydrochloride
CID 138393705
2-(3-hydroxypiperidin-3-yl)propanenitrile
CID 79130548

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonylpiperidine-3-carbonitrile?
The IUPAC name of 3-methylsulfonylpiperidine-3-carbonitrile (CID 169170088) is 3-methylsulfonylpiperidine-3-carbonitrile.
What is the SMILES notation for 3-methylsulfonylpiperidine-3-carbonitrile?
The canonical SMILES for 3-methylsulfonylpiperidine-3-carbonitrile is CS(=O)(=O)C1(C#N)CCCNC1.
What is the InChIKey of 3-methylsulfonylpiperidine-3-carbonitrile?
The InChIKey is JSUYSWKPKXFFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-12(10,11)7(5-8)3-2-4-9-6-7/h9H,2-4,6H2,1H3.
What are the key properties of 3-methylsulfonylpiperidine-3-carbonitrile?
3-methylsulfonylpiperidine-3-carbonitrile has a molecular weight of 188.25 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonylpiperidine-3-carbonitrile is sourced from PubChem (CID 169170088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).