2-(2-methylpiperidin-1-yl)sulfonylbenzonitrile

C13H16N2O2S — CID 3523290

IUPAC2-(2-methylpiperidin-1-yl)sulfonylbenzonitrile
SMILESCC1CCCCN1S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C13H16N2O2S/c1-11-6-4-5-9-15(11)18(16,17)13-8-3-2-7-12(13)10-14/h2-3,7-8,11H,4-6,9H2,1H3
InChIKeyWRMKWOUOCSEMOZ-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.12
Rot. Bonds2

About 2-(2-methylpiperidin-1-yl)sulfonylbenzonitrile

2-(2-methylpiperidin-1-yl)sulfonylbenzonitrile (PubChem CID 3523290) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(2-methylpiperidin-1-yl)sulfonylbenzonitrile.

Molecular Properties

Compound Name2-(2-methylpiperidin-1-yl)sulfonylbenzonitrile
PubChem CID3523290
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-(2-methylpiperidin-1-yl)sulfonylbenzonitrile
SMILESCC1CCCCN1S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C13H16N2O2S/c1-11-6-4-5-9-15(11)18(16,17)13-8-3-2-7-12(13)10-14/h2-3,7-8,11H,4-6,9H2,1H3
InChIKeyWRMKWOUOCSEMOZ-UHFFFAOYSA-N
XLogP2.12
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoazepan-1-yl)sulfonylbenzonitrile
CID 64560346
2-(2,4-dimethylpiperidin-1-yl)sulfonylbenzonitrile
CID 62330010
1-(2-cyanophenyl)sulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742375
3-[2-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine
CID 60844957
2-[(2R,5R)-2,5-dimethylpiperidin-1-yl]sulfonylbenzonitrile
CID 161452470
5-(2-methylazepan-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 104773901
1-(2-cyanophenyl)sulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422134
2-[4-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]sulfonylbenzonitrile
CID 9286682
2-(3-aminopiperidin-1-yl)sulfonylbenzonitrile
CID 43096470
5-(2-methylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 104773796
(2S)-2-methyl-1-(4-nitrophenyl)sulfonylpiperidine
CID 779289
2-(3-methyl-4-oxopiperidin-1-yl)sulfonylbenzonitrile
CID 114500080

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidin-1-yl)sulfonylbenzonitrile?
The IUPAC name of 2-(2-methylpiperidin-1-yl)sulfonylbenzonitrile (CID 3523290) is 2-(2-methylpiperidin-1-yl)sulfonylbenzonitrile.
What is the SMILES notation for 2-(2-methylpiperidin-1-yl)sulfonylbenzonitrile?
The canonical SMILES for 2-(2-methylpiperidin-1-yl)sulfonylbenzonitrile is CC1CCCCN1S(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-(2-methylpiperidin-1-yl)sulfonylbenzonitrile?
The InChIKey is WRMKWOUOCSEMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-11-6-4-5-9-15(11)18(16,17)13-8-3-2-7-12(13)10-14/h2-3,7-8,11H,4-6,9H2,1H3.
What are the key properties of 2-(2-methylpiperidin-1-yl)sulfonylbenzonitrile?
2-(2-methylpiperidin-1-yl)sulfonylbenzonitrile has a molecular weight of 264.35 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidin-1-yl)sulfonylbenzonitrile is sourced from PubChem (CID 3523290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).