2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile

C12H16N2O2S2 — CID 894238

IUPAC2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCCS(=O)(=O)CCSc1nc(C)cc(C)c1C#N
InChIInChI=1S/C12H16N2O2S2/c1-4-18(15,16)6-5-17-12-11(8-13)9(2)7-10(3)14-12/h7H,4-6H2,1-3H3
InChIKeyTUSMDRDIDCPQRO-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.10
Rot. Bonds5

About 2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile

2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 894238) has the molecular formula C12H16N2O2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID894238
Molecular FormulaC12H16N2O2S2
Molecular Weight284.41 g/mol
Exact Mass284.07
IUPAC Name2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCCS(=O)(=O)CCSc1nc(C)cc(C)c1C#N
InChIInChI=1S/C12H16N2O2S2/c1-4-18(15,16)6-5-17-12-11(8-13)9(2)7-10(3)14-12/h7H,4-6H2,1-3H3
InChIKeyTUSMDRDIDCPQRO-UHFFFAOYSA-N
XLogP2.10
TPSA70.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanoic acid
CID 19059694
2-(3-methoxypropylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile
CID 52634411
2-(2-ethylsulfonylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile
CID 3380391
2-[(2-ethylphenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
CID 2810516
4,6-dimethyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile
CID 2794588
3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)propanamide
CID 23861459
2-(3-benzylsulfonyl-2-hydroxypropyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 2942820
3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 23746163
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(ethylcarbamoyl)acetamide
CID 2673173
2-[2-[4-[4-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]phenyl]phenyl]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 3111095
2-[(5-bromo-2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
CID 7150559
2-[(4-fluorophenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
CID 724579

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile (CID 894238) is 2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile is CCS(=O)(=O)CCSc1nc(C)cc(C)c1C#N.
What is the InChIKey of 2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is TUSMDRDIDCPQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S2/c1-4-18(15,16)6-5-17-12-11(8-13)9(2)7-10(3)14-12/h7H,4-6H2,1-3H3.
What are the key properties of 2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile?
2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 284.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 894238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).