3-(4-acetylpiperazin-1-yl)sulfonylpyridine-2-carbonitrile

C12H14N4O3S — CID 106545073

IUPAC3-(4-acetylpiperazin-1-yl)sulfonylpyridine-2-carbonitrile
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccnc2C#N)CC1
InChIInChI=1S/C12H14N4O3S/c1-10(17)15-5-7-16(8-6-15)20(18,19)12-3-2-4-14-11(12)9-13/h2-4H,5-8H2,1H3
InChIKeyMOZQSCOBOQQTKB-UHFFFAOYSA-N
MW294.34 g/mol
LogP-0.19
Rot. Bonds2

About 3-(4-acetylpiperazin-1-yl)sulfonylpyridine-2-carbonitrile

3-(4-acetylpiperazin-1-yl)sulfonylpyridine-2-carbonitrile (PubChem CID 106545073) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)sulfonylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)sulfonylpyridine-2-carbonitrile
PubChem CID106545073
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name3-(4-acetylpiperazin-1-yl)sulfonylpyridine-2-carbonitrile
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccnc2C#N)CC1
InChIInChI=1S/C12H14N4O3S/c1-10(17)15-5-7-16(8-6-15)20(18,19)12-3-2-4-14-11(12)9-13/h2-4H,5-8H2,1H3
InChIKeyMOZQSCOBOQQTKB-UHFFFAOYSA-N
XLogP-0.19
TPSA94.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 106546645
3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyridine-2-carbonitrile
CID 106546619
1-[4-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]-1,4-diazepan-1-yl]ethanone
CID 106594245
methyl 1-[(2-cyano-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
CID 106545929
3-(2,6-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 106595489
(2S,4S)-1-[(2-cyano-3-pyridinyl)sulfonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 106593338
3-[(2-cyano-3-pyridinyl)sulfonyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 106593325
3-[(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)sulfonyl]pyridine-2-carbonitrile
CID 106598683
1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 47104113
3-(3,3-dimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile
CID 106545672
2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 106545352
3-(2-cyanopyrrolidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 106595218

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonylpyridine-2-carbonitrile?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonylpyridine-2-carbonitrile (CID 106545073) is 3-(4-acetylpiperazin-1-yl)sulfonylpyridine-2-carbonitrile.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)sulfonylpyridine-2-carbonitrile?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)sulfonylpyridine-2-carbonitrile is CC(=O)N1CCN(S(=O)(=O)c2cccnc2C#N)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)sulfonylpyridine-2-carbonitrile?
The InChIKey is MOZQSCOBOQQTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-10(17)15-5-7-16(8-6-15)20(18,19)12-3-2-4-14-11(12)9-13/h2-4H,5-8H2,1H3.
What are the key properties of 3-(4-acetylpiperazin-1-yl)sulfonylpyridine-2-carbonitrile?
3-(4-acetylpiperazin-1-yl)sulfonylpyridine-2-carbonitrile has a molecular weight of 294.34 g/mol, XLogP of -0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)sulfonylpyridine-2-carbonitrile is sourced from PubChem (CID 106545073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).