5-methyl-4,6-bis(methylsulfanyl)-4,5-dihydro-3H-pyridin-2-one

C8H13NOS2 — CID 90727275

IUPAC5-methyl-4,6-bis(methylsulfanyl)-4,5-dihydro-3H-pyridin-2-one
SMILESCSC1=NC(=O)CC(SC)C1C
InChIInChI=1S/C8H13NOS2/c1-5-6(11-2)4-7(10)9-8(5)12-3/h5-6H,4H2,1-3H3
InChIKeyVGQRVWXOPMKSOJ-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.05
Rot. Bonds1

About 5-methyl-4,6-bis(methylsulfanyl)-4,5-dihydro-3H-pyridin-2-one

5-methyl-4,6-bis(methylsulfanyl)-4,5-dihydro-3H-pyridin-2-one (PubChem CID 90727275) has the molecular formula C8H13NOS2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 5-methyl-4,6-bis(methylsulfanyl)-4,5-dihydro-3H-pyridin-2-one.

Molecular Properties

Compound Name5-methyl-4,6-bis(methylsulfanyl)-4,5-dihydro-3H-pyridin-2-one
PubChem CID90727275
Molecular FormulaC8H13NOS2
Molecular Weight203.33 g/mol
Exact Mass203.04
IUPAC Name5-methyl-4,6-bis(methylsulfanyl)-4,5-dihydro-3H-pyridin-2-one
SMILESCSC1=NC(=O)CC(SC)C1C
InChIInChI=1S/C8H13NOS2/c1-5-6(11-2)4-7(10)9-8(5)12-3/h5-6H,4H2,1-3H3
InChIKeyVGQRVWXOPMKSOJ-UHFFFAOYSA-N
XLogP2.05
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,6-bis(methylsulfanyl)-4,5-dihydro-3H-pyridin-2-one?
The IUPAC name of 5-methyl-4,6-bis(methylsulfanyl)-4,5-dihydro-3H-pyridin-2-one (CID 90727275) is 5-methyl-4,6-bis(methylsulfanyl)-4,5-dihydro-3H-pyridin-2-one.
What is the SMILES notation for 5-methyl-4,6-bis(methylsulfanyl)-4,5-dihydro-3H-pyridin-2-one?
The canonical SMILES for 5-methyl-4,6-bis(methylsulfanyl)-4,5-dihydro-3H-pyridin-2-one is CSC1=NC(=O)CC(SC)C1C.
What is the InChIKey of 5-methyl-4,6-bis(methylsulfanyl)-4,5-dihydro-3H-pyridin-2-one?
The InChIKey is VGQRVWXOPMKSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS2/c1-5-6(11-2)4-7(10)9-8(5)12-3/h5-6H,4H2,1-3H3.
What are the key properties of 5-methyl-4,6-bis(methylsulfanyl)-4,5-dihydro-3H-pyridin-2-one?
5-methyl-4,6-bis(methylsulfanyl)-4,5-dihydro-3H-pyridin-2-one has a molecular weight of 203.33 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,6-bis(methylsulfanyl)-4,5-dihydro-3H-pyridin-2-one is sourced from PubChem (CID 90727275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).