(2R)-4-methyl-6-oxo-2-sulfanyl-2,5-dihydro-1H-pyridine-3-carbonitrile

C7H8N2OS — CID 51703716

IUPAC(2R)-4-methyl-6-oxo-2-sulfanyl-2,5-dihydro-1H-pyridine-3-carbonitrile
SMILESCC1=C(C#N)[C@@H](S)NC(=O)C1
InChIInChI=1S/C7H8N2OS/c1-4-2-6(10)9-7(11)5(4)3-8/h7,11H,2H2,1H3,(H,9,10)/t7-/m1/s1
InChIKeyLAYNILYGZIBMSF-SSDOTTSWSA-N
MW168.22 g/mol
LogP0.60
Rot. Bonds

About (2R)-4-methyl-6-oxo-2-sulfanyl-2,5-dihydro-1H-pyridine-3-carbonitrile

(2R)-4-methyl-6-oxo-2-sulfanyl-2,5-dihydro-1H-pyridine-3-carbonitrile (PubChem CID 51703716) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is (2R)-4-methyl-6-oxo-2-sulfanyl-2,5-dihydro-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name(2R)-4-methyl-6-oxo-2-sulfanyl-2,5-dihydro-1H-pyridine-3-carbonitrile
PubChem CID51703716
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name(2R)-4-methyl-6-oxo-2-sulfanyl-2,5-dihydro-1H-pyridine-3-carbonitrile
SMILESCC1=C(C#N)[C@@H](S)NC(=O)C1
InChIInChI=1S/C7H8N2OS/c1-4-2-6(10)9-7(11)5(4)3-8/h7,11H,2H2,1H3,(H,9,10)/t7-/m1/s1
InChIKeyLAYNILYGZIBMSF-SSDOTTSWSA-N
XLogP0.60
TPSA52.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-oxo-4-propyl-3,4-dihydro-1H-pyridine-5-carbonitrile
CID 130019803
4-methyl-6-oxo-2-sulfanyl-2,3-dihydro-1H-pyrimidine-5-carbonitrile
CID 134508217
(1S,4R,5S,8R)-tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-10,11-dicarbonitrile
CID 10822355
5-methyl-4-sulfanylidenepyrrolidin-2-one
CID 137473212
3,4-dimethyl-2,5-dihydro-1H-pyridin-6-one
CID 55287523
(4S)-4-(4-methoxyphenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile
CID 915496
(5R)-5-methylpyrrolidine-2,4-dione
CID 98474157
ethane;4-(5-oxopyrrolidin-2-yl)benzonitrile
CID 143222280
4-methyl-6-oxo-2-sulfanyl-2,3-dihydro-1H-pyridine-3-carbonitrile
CID 88963134
(2S)-2-(dimethylamino)-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile
CID 820736
(4R,5R)-5-methyl-4-sulfanylpyrrolidin-2-one
CID 11815391
6-(3,5-dimethylphenyl)piperidine-2,4-dione
CID 83821744

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-6-oxo-2-sulfanyl-2,5-dihydro-1H-pyridine-3-carbonitrile?
The IUPAC name of (2R)-4-methyl-6-oxo-2-sulfanyl-2,5-dihydro-1H-pyridine-3-carbonitrile (CID 51703716) is (2R)-4-methyl-6-oxo-2-sulfanyl-2,5-dihydro-1H-pyridine-3-carbonitrile.
What is the SMILES notation for (2R)-4-methyl-6-oxo-2-sulfanyl-2,5-dihydro-1H-pyridine-3-carbonitrile?
The canonical SMILES for (2R)-4-methyl-6-oxo-2-sulfanyl-2,5-dihydro-1H-pyridine-3-carbonitrile is CC1=C(C#N)[C@@H](S)NC(=O)C1.
What is the InChIKey of (2R)-4-methyl-6-oxo-2-sulfanyl-2,5-dihydro-1H-pyridine-3-carbonitrile?
The InChIKey is LAYNILYGZIBMSF-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-4-2-6(10)9-7(11)5(4)3-8/h7,11H,2H2,1H3,(H,9,10)/t7-/m1/s1.
What are the key properties of (2R)-4-methyl-6-oxo-2-sulfanyl-2,5-dihydro-1H-pyridine-3-carbonitrile?
(2R)-4-methyl-6-oxo-2-sulfanyl-2,5-dihydro-1H-pyridine-3-carbonitrile has a molecular weight of 168.22 g/mol, XLogP of 0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-6-oxo-2-sulfanyl-2,5-dihydro-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 51703716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).