2-(2,4-dimethylpiperidin-1-yl)sulfonylbenzonitrile

C14H18N2O2S — CID 62330010

IUPAC2-(2,4-dimethylpiperidin-1-yl)sulfonylbenzonitrile
SMILESCC1CCN(S(=O)(=O)c2ccccc2C#N)C(C)C1
InChIInChI=1S/C14H18N2O2S/c1-11-7-8-16(12(2)9-11)19(17,18)14-6-4-3-5-13(14)10-15/h3-6,11-12H,7-9H2,1-2H3
InChIKeyZBIPWGZIRKPSKR-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.37
Rot. Bonds2

About 2-(2,4-dimethylpiperidin-1-yl)sulfonylbenzonitrile

2-(2,4-dimethylpiperidin-1-yl)sulfonylbenzonitrile (PubChem CID 62330010) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperidin-1-yl)sulfonylbenzonitrile.

Molecular Properties

Compound Name2-(2,4-dimethylpiperidin-1-yl)sulfonylbenzonitrile
PubChem CID62330010
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-(2,4-dimethylpiperidin-1-yl)sulfonylbenzonitrile
SMILESCC1CCN(S(=O)(=O)c2ccccc2C#N)C(C)C1
InChIInChI=1S/C14H18N2O2S/c1-11-7-8-16(12(2)9-11)19(17,18)14-6-4-3-5-13(14)10-15/h3-6,11-12H,7-9H2,1-2H3
InChIKeyZBIPWGZIRKPSKR-UHFFFAOYSA-N
XLogP2.37
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyanophenyl)sulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742375
1-(2-cyanophenyl)sulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422134
2-(2-methylpiperidin-1-yl)sulfonylbenzonitrile
CID 3523290
2-[(2R,5R)-2,5-dimethylpiperidin-1-yl]sulfonylbenzonitrile
CID 161452470
2-(2-aminoazepan-1-yl)sulfonylbenzonitrile
CID 64560346
2-[4-(1-cyclopropylethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 110708874
2-(2-benzyl-5-methylmorpholin-4-yl)sulfonylbenzonitrile
CID 110644115
2-(3-methyl-4-oxopiperidin-1-yl)sulfonylbenzonitrile
CID 114500080
2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile
CID 103834546
2-[4-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]sulfonylbenzonitrile
CID 9286682
3-(2,4-dimethylpiperidin-1-yl)sulfonylaniline
CID 62332456
2-(3-aminopiperidin-1-yl)sulfonylbenzonitrile
CID 43096470

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)sulfonylbenzonitrile?
The IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)sulfonylbenzonitrile (CID 62330010) is 2-(2,4-dimethylpiperidin-1-yl)sulfonylbenzonitrile.
What is the SMILES notation for 2-(2,4-dimethylpiperidin-1-yl)sulfonylbenzonitrile?
The canonical SMILES for 2-(2,4-dimethylpiperidin-1-yl)sulfonylbenzonitrile is CC1CCN(S(=O)(=O)c2ccccc2C#N)C(C)C1.
What is the InChIKey of 2-(2,4-dimethylpiperidin-1-yl)sulfonylbenzonitrile?
The InChIKey is ZBIPWGZIRKPSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-11-7-8-16(12(2)9-11)19(17,18)14-6-4-3-5-13(14)10-15/h3-6,11-12H,7-9H2,1-2H3.
What are the key properties of 2-(2,4-dimethylpiperidin-1-yl)sulfonylbenzonitrile?
2-(2,4-dimethylpiperidin-1-yl)sulfonylbenzonitrile has a molecular weight of 278.38 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperidin-1-yl)sulfonylbenzonitrile is sourced from PubChem (CID 62330010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).