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

C5H8N2OS — CID 78385770

IUPAC5-methyl-4-sulfanylidene-1,3-diazinan-2-one
SMILESCC1CNC(=O)NC1=S
InChIInChI=1S/C5H8N2OS/c1-3-2-6-5(8)7-4(3)9/h3H,2H2,1H3,(H2,6,7,8,9)
InChIKeyALHGBFJCZAKZAE-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.26
Rot. Bonds

About 5-methyl-4-sulfanylidene-1,3-diazinan-2-one

5-methyl-4-sulfanylidene-1,3-diazinan-2-one (PubChem CID 78385770) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is 5-methyl-4-sulfanylidene-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-methyl-4-sulfanylidene-1,3-diazinan-2-one
PubChem CID78385770
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name5-methyl-4-sulfanylidene-1,3-diazinan-2-one
SMILESCC1CNC(=O)NC1=S
InChIInChI=1S/C5H8N2OS/c1-3-2-6-5(8)7-4(3)9/h3H,2H2,1H3,(H2,6,7,8,9)
InChIKeyALHGBFJCZAKZAE-UHFFFAOYSA-N
XLogP0.26
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 ≤ 50.26
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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5-methyl-4-sulfanylidene-1,3-thiazinan-2-one
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cis-(2R,6S)-4-hydroxy-2,4,6-trimethylcyclohexan-1-one
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5-(ethylamino)-1,3-diazinane-2,4-dione
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[(5S)-2,4-dioxo-1,3-diazinan-5-yl]boronic acid
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5-hydroxy-3,4-dimethyl-2,3-dihydro-1H-pyridin-6-one
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5-iodo-1,3-diazinane-2,4-dione
CID 1283
4-methyl-3-methylidenepyrrolidin-2-one
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N-methyl-2,7-dioxo-1,3-diazepane-5-carboxamide
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4-hydroxy-3,4-dimethylpyrrolidin-2-one
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(4S,4aS,8aS)-4-methyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-sulfanylidene-1,3-diazinan-2-one?
The IUPAC name of 5-methyl-4-sulfanylidene-1,3-diazinan-2-one (CID 78385770) is 5-methyl-4-sulfanylidene-1,3-diazinan-2-one.
What is the SMILES notation for 5-methyl-4-sulfanylidene-1,3-diazinan-2-one?
The canonical SMILES for 5-methyl-4-sulfanylidene-1,3-diazinan-2-one is CC1CNC(=O)NC1=S.
What is the InChIKey of 5-methyl-4-sulfanylidene-1,3-diazinan-2-one?
The InChIKey is ALHGBFJCZAKZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c1-3-2-6-5(8)7-4(3)9/h3H,2H2,1H3,(H2,6,7,8,9).
What are the key properties of 5-methyl-4-sulfanylidene-1,3-diazinan-2-one?
5-methyl-4-sulfanylidene-1,3-diazinan-2-one has a molecular weight of 144.20 g/mol, XLogP of 0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-sulfanylidene-1,3-diazinan-2-one is sourced from PubChem (CID 78385770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).