3-[4-(2-methylsulfonylethyl)anilino]pyrazine-2-carbonitrile

C14H14N4O2S — CID 133398030

IUPAC3-[4-(2-methylsulfonylethyl)anilino]pyrazine-2-carbonitrile
SMILESCS(=O)(=O)CCc1ccc(Nc2nccnc2C#N)cc1
InChIInChI=1S/C14H14N4O2S/c1-21(19,20)9-6-11-2-4-12(5-3-11)18-14-13(10-15)16-7-8-17-14/h2-5,7-8H,6,9H2,1H3,(H,17,18)
InChIKeyAIMVCXDCFOSSGA-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.68
Rot. Bonds5

About 3-[4-(2-methylsulfonylethyl)anilino]pyrazine-2-carbonitrile

3-[4-(2-methylsulfonylethyl)anilino]pyrazine-2-carbonitrile (PubChem CID 133398030) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-[4-(2-methylsulfonylethyl)anilino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-(2-methylsulfonylethyl)anilino]pyrazine-2-carbonitrile
PubChem CID133398030
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name3-[4-(2-methylsulfonylethyl)anilino]pyrazine-2-carbonitrile
SMILESCS(=O)(=O)CCc1ccc(Nc2nccnc2C#N)cc1
InChIInChI=1S/C14H14N4O2S/c1-21(19,20)9-6-11-2-4-12(5-3-11)18-14-13(10-15)16-7-8-17-14/h2-5,7-8H,6,9H2,1H3,(H,17,18)
InChIKeyAIMVCXDCFOSSGA-UHFFFAOYSA-N
XLogP1.68
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-butylanilino)pyrazine-2-carbonitrile
CID 60620244
3-chloro-6-[4-(2-methylsulfonylethyl)anilino]pyridine-2-carbonitrile
CID 133398085
3-(4-ethyl-3-methylanilino)pyrazine-2-carbonitrile
CID 113346577
2,6-dimethyl-4-[4-(2-methylsulfonylethyl)anilino]pyridine-3-carbonitrile
CID 133398006
3-[4-[benzyl(methyl)amino]anilino]pyrazine-2-carbonitrile
CID 133283837
4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]benzenesulfonamide
CID 60620125
3-(thiophen-3-ylamino)pyrazine-2-carbonitrile
CID 66356465
methyl N-[4-[(3-cyanopyrazin-2-yl)amino]phenyl]-N-methylcarbamate
CID 133284152
3-[4-(4-methyl-1,3-thiazol-2-yl)anilino]pyrazine-2-carbonitrile
CID 133284985
6-methyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine
CID 133398088
3-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]anilino]pyrazine-2-carbonitrile;5-methoxypyridin-2-amine
CID 159211586
N-[4-(2-methylsulfonylethyl)phenyl]-2-phenylquinazolin-4-amine
CID 133398069

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylsulfonylethyl)anilino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-(2-methylsulfonylethyl)anilino]pyrazine-2-carbonitrile (CID 133398030) is 3-[4-(2-methylsulfonylethyl)anilino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-(2-methylsulfonylethyl)anilino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-(2-methylsulfonylethyl)anilino]pyrazine-2-carbonitrile is CS(=O)(=O)CCc1ccc(Nc2nccnc2C#N)cc1.
What is the InChIKey of 3-[4-(2-methylsulfonylethyl)anilino]pyrazine-2-carbonitrile?
The InChIKey is AIMVCXDCFOSSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-21(19,20)9-6-11-2-4-12(5-3-11)18-14-13(10-15)16-7-8-17-14/h2-5,7-8H,6,9H2,1H3,(H,17,18).
What are the key properties of 3-[4-(2-methylsulfonylethyl)anilino]pyrazine-2-carbonitrile?
3-[4-(2-methylsulfonylethyl)anilino]pyrazine-2-carbonitrile has a molecular weight of 302.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylsulfonylethyl)anilino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133398030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).