2-[4-(3,3-dimethylpiperidin-1-yl)sulfonylphenyl]acetonitrile

C15H20N2O2S — CID 79195551

IUPAC2-[4-(3,3-dimethylpiperidin-1-yl)sulfonylphenyl]acetonitrile
SMILESCC1(C)CCCN(S(=O)(=O)c2ccc(CC#N)cc2)C1
InChIInChI=1S/C15H20N2O2S/c1-15(2)9-3-11-17(12-15)20(18,19)14-6-4-13(5-7-14)8-10-16/h4-7H,3,8-9,11-12H2,1-2H3
InChIKeyJNXNYNSHQNFCSG-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.56
Rot. Bonds3

About 2-[4-(3,3-dimethylpiperidin-1-yl)sulfonylphenyl]acetonitrile

2-[4-(3,3-dimethylpiperidin-1-yl)sulfonylphenyl]acetonitrile (PubChem CID 79195551) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-[4-(3,3-dimethylpiperidin-1-yl)sulfonylphenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(3,3-dimethylpiperidin-1-yl)sulfonylphenyl]acetonitrile
PubChem CID79195551
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-[4-(3,3-dimethylpiperidin-1-yl)sulfonylphenyl]acetonitrile
SMILESCC1(C)CCCN(S(=O)(=O)c2ccc(CC#N)cc2)C1
InChIInChI=1S/C15H20N2O2S/c1-15(2)9-3-11-17(12-15)20(18,19)14-6-4-13(5-7-14)8-10-16/h4-7H,3,8-9,11-12H2,1-2H3
InChIKeyJNXNYNSHQNFCSG-UHFFFAOYSA-N
XLogP2.56
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(3,3-dimethylpiperidin-1-yl)sulfonylphenyl]acetonitrile 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

2-[4-(2,2-dimethylthiomorpholin-4-yl)sulfonylphenyl]acetonitrile
CID 115683063
1-[4-(bromomethyl)phenyl]sulfonyl-4,4-dimethylazepane
CID 65481831
(3S)-1-[4-(cyanomethyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 81120949
2-[4-(4-propan-2-ylpiperidin-1-yl)sulfonylphenyl]acetonitrile
CID 103721169
2-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonylphenyl]acetonitrile
CID 79410030
2-[4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)phenyl]acetonitrile
CID 103947030
2-[4-(3,4-dimethylpiperidin-1-yl)sulfonylphenyl]acetonitrile
CID 115872304
2-[4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetonitrile
CID 79203418
2-[4-(3-ethoxypiperidin-1-yl)sulfonylphenyl]acetonitrile
CID 79186274
2-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]acetonitrile
CID 79186615
2-[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]acetonitrile
CID 165180543
2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylphenyl]acetonitrile
CID 79185826

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-dimethylpiperidin-1-yl)sulfonylphenyl]acetonitrile?
The IUPAC name of 2-[4-(3,3-dimethylpiperidin-1-yl)sulfonylphenyl]acetonitrile (CID 79195551) is 2-[4-(3,3-dimethylpiperidin-1-yl)sulfonylphenyl]acetonitrile.
What is the SMILES notation for 2-[4-(3,3-dimethylpiperidin-1-yl)sulfonylphenyl]acetonitrile?
The canonical SMILES for 2-[4-(3,3-dimethylpiperidin-1-yl)sulfonylphenyl]acetonitrile is CC1(C)CCCN(S(=O)(=O)c2ccc(CC#N)cc2)C1.
What is the InChIKey of 2-[4-(3,3-dimethylpiperidin-1-yl)sulfonylphenyl]acetonitrile?
The InChIKey is JNXNYNSHQNFCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-15(2)9-3-11-17(12-15)20(18,19)14-6-4-13(5-7-14)8-10-16/h4-7H,3,8-9,11-12H2,1-2H3.
What are the key properties of 2-[4-(3,3-dimethylpiperidin-1-yl)sulfonylphenyl]acetonitrile?
2-[4-(3,3-dimethylpiperidin-1-yl)sulfonylphenyl]acetonitrile has a molecular weight of 292.40 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3-dimethylpiperidin-1-yl)sulfonylphenyl]acetonitrile is sourced from PubChem (CID 79195551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).