2-ethylsulfanyl-4,5,6-trimethylpyridine-3-carbonitrile

C11H14N2S — CID 739743

IUPAC2-ethylsulfanyl-4,5,6-trimethylpyridine-3-carbonitrile
SMILESCCSc1nc(C)c(C)c(C)c1C#N
InChIInChI=1S/C11H14N2S/c1-5-14-11-10(6-12)8(3)7(2)9(4)13-11/h5H2,1-4H3
InChIKeyGHPVZSDBEGOCRA-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.99
Rot. Bonds2

About 2-ethylsulfanyl-4,5,6-trimethylpyridine-3-carbonitrile

2-ethylsulfanyl-4,5,6-trimethylpyridine-3-carbonitrile (PubChem CID 739743) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-ethylsulfanyl-4,5,6-trimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-ethylsulfanyl-4,5,6-trimethylpyridine-3-carbonitrile
PubChem CID739743
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name2-ethylsulfanyl-4,5,6-trimethylpyridine-3-carbonitrile
SMILESCCSc1nc(C)c(C)c(C)c1C#N
InChIInChI=1S/C11H14N2S/c1-5-14-11-10(6-12)8(3)7(2)9(4)13-11/h5H2,1-4H3
InChIKeyGHPVZSDBEGOCRA-UHFFFAOYSA-N
XLogP2.99
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetic acid
CID 695730
N-carbamoyl-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide
CID 7491474
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 7491456
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile
CID 7491445
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 707628
4,5,6-trimethyl-2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3-carbonitrile
CID 7491705
2-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile
CID 91644305
3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41434759
N-(2-benzylsulfanylethyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide
CID 7489605
2-[(3-cyano-4,6-dimethyl-5-prop-2-enyl-2-pyridinyl)disulfanyl]-4,6-dimethyl-5-prop-2-enylpyridine-3-carbonitrile
CID 170458751
4-ethylsulfanyl-2,6-dimethylpyridine-3-carbonitrile
CID 81052061
2-ethylsulfanyl-4-methyl-6-phenylpyridine-3-carbonitrile
CID 4083056

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4,5,6-trimethylpyridine-3-carbonitrile?
The IUPAC name of 2-ethylsulfanyl-4,5,6-trimethylpyridine-3-carbonitrile (CID 739743) is 2-ethylsulfanyl-4,5,6-trimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-ethylsulfanyl-4,5,6-trimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-ethylsulfanyl-4,5,6-trimethylpyridine-3-carbonitrile is CCSc1nc(C)c(C)c(C)c1C#N.
What is the InChIKey of 2-ethylsulfanyl-4,5,6-trimethylpyridine-3-carbonitrile?
The InChIKey is GHPVZSDBEGOCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-5-14-11-10(6-12)8(3)7(2)9(4)13-11/h5H2,1-4H3.
What are the key properties of 2-ethylsulfanyl-4,5,6-trimethylpyridine-3-carbonitrile?
2-ethylsulfanyl-4,5,6-trimethylpyridine-3-carbonitrile has a molecular weight of 206.31 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4,5,6-trimethylpyridine-3-carbonitrile is sourced from PubChem (CID 739743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).