6-methyl-2-sulfanylidene-1,3-diazinan-4-one

C5H8N2OS — CID 3431792

IUPAC6-methyl-2-sulfanylidene-1,3-diazinan-4-one
SMILESCC1CC(=O)NC(=S)N1
InChIInChI=1S/C5H8N2OS/c1-3-2-4(8)7-5(9)6-3/h3H,2H2,1H3,(H2,6,7,8,9)
InChIKeyQEXSOJQMAYEVMA-UHFFFAOYSA-N
MW144.20 g/mol
LogP-0.23
Rot. Bonds

About 6-methyl-2-sulfanylidene-1,3-diazinan-4-one

6-methyl-2-sulfanylidene-1,3-diazinan-4-one (PubChem CID 3431792) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is 6-methyl-2-sulfanylidene-1,3-diazinan-4-one.

Molecular Properties

Compound Name6-methyl-2-sulfanylidene-1,3-diazinan-4-one
PubChem CID3431792
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name6-methyl-2-sulfanylidene-1,3-diazinan-4-one
SMILESCC1CC(=O)NC(=S)N1
InChIInChI=1S/C5H8N2OS/c1-3-2-4(8)7-5(9)6-3/h3H,2H2,1H3,(H2,6,7,8,9)
InChIKeyQEXSOJQMAYEVMA-UHFFFAOYSA-N
XLogP-0.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-sulfanylidene-1,3-diazinan-4-one?
The IUPAC name of 6-methyl-2-sulfanylidene-1,3-diazinan-4-one (CID 3431792) is 6-methyl-2-sulfanylidene-1,3-diazinan-4-one.
What is the SMILES notation for 6-methyl-2-sulfanylidene-1,3-diazinan-4-one?
The canonical SMILES for 6-methyl-2-sulfanylidene-1,3-diazinan-4-one is CC1CC(=O)NC(=S)N1.
What is the InChIKey of 6-methyl-2-sulfanylidene-1,3-diazinan-4-one?
The InChIKey is QEXSOJQMAYEVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c1-3-2-4(8)7-5(9)6-3/h3H,2H2,1H3,(H2,6,7,8,9).
What are the key properties of 6-methyl-2-sulfanylidene-1,3-diazinan-4-one?
6-methyl-2-sulfanylidene-1,3-diazinan-4-one has a molecular weight of 144.20 g/mol, XLogP of -0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-sulfanylidene-1,3-diazinan-4-one is sourced from PubChem (CID 3431792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).