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

C5H10N2OS — CID 75088843

IUPAC2-methyl-6-sulfanyl-1,3-diazinan-4-one
SMILESCC1NC(=O)CC(S)N1
InChIInChI=1S/C5H10N2OS/c1-3-6-4(8)2-5(9)7-3/h3,5,7,9H,2H2,1H3,(H,6,8)
InChIKeyDVSUQHGRRULHGC-UHFFFAOYSA-N
MW146.21 g/mol
LogP-0.30
Rot. Bonds

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

2-methyl-6-sulfanyl-1,3-diazinan-4-one (PubChem CID 75088843) has the molecular formula C5H10N2OS and a molecular weight of 146.21 g/mol. Its IUPAC name is 2-methyl-6-sulfanyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-methyl-6-sulfanyl-1,3-diazinan-4-one
PubChem CID75088843
Molecular FormulaC5H10N2OS
Molecular Weight146.21 g/mol
Exact Mass146.05
IUPAC Name2-methyl-6-sulfanyl-1,3-diazinan-4-one
SMILESCC1NC(=O)CC(S)N1
InChIInChI=1S/C5H10N2OS/c1-3-6-4(8)2-5(9)7-3/h3,5,7,9H,2H2,1H3,(H,6,8)
InChIKeyDVSUQHGRRULHGC-UHFFFAOYSA-N
XLogP-0.30
TPSA41.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 11815391
(8S,12S,16S)-4,8,12,16-tetramethyl-1,5,9,13-tetrazacyclohexadecane-2,6,10,14-tetrone
CID 177427940
(4S,5S)-4,5-dimethylpyrrolidin-2-one;ethane
CID 143653948
2-(azepan-1-yl)-6-methyl-1,3-diazinan-4-one
CID 78228721
(6S)-6-methyl-1,3-diazinane-2,4-dione
CID 6951747
3,7-dimethyl-1,4-diazepan-5-one
CID 55287243
(4R,5S)-4,5-dimethylpyrrolidin-2-one;methanol
CID 159095548
(5S)-5-methylpyrrolidin-2-one
CID 7458701
(4S)-4-[(2S,3R)-3-methyloxiran-2-yl]azetidin-2-one
CID 55301160
2-methyl-5-propan-2-ylimidazolidin-4-one
CID 55287744
(2R)-2,7-dimethyl-1,4-diazepan-5-one
CID 55300700
(5R)-5-methylpyrazolidin-3-one
CID 40561585

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-sulfanyl-1,3-diazinan-4-one?
The IUPAC name of 2-methyl-6-sulfanyl-1,3-diazinan-4-one (CID 75088843) is 2-methyl-6-sulfanyl-1,3-diazinan-4-one.
What is the SMILES notation for 2-methyl-6-sulfanyl-1,3-diazinan-4-one?
The canonical SMILES for 2-methyl-6-sulfanyl-1,3-diazinan-4-one is CC1NC(=O)CC(S)N1.
What is the InChIKey of 2-methyl-6-sulfanyl-1,3-diazinan-4-one?
The InChIKey is DVSUQHGRRULHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2OS/c1-3-6-4(8)2-5(9)7-3/h3,5,7,9H,2H2,1H3,(H,6,8).
What are the key properties of 2-methyl-6-sulfanyl-1,3-diazinan-4-one?
2-methyl-6-sulfanyl-1,3-diazinan-4-one has a molecular weight of 146.21 g/mol, XLogP of -0.30, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-sulfanyl-1,3-diazinan-4-one is sourced from PubChem (CID 75088843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).