3-methyl-6-phenyl-2-sulfanylidene-1,3-thiazinan-4-one

C11H11NOS2 — CID 14142764

IUPAC3-methyl-6-phenyl-2-sulfanylidene-1,3-thiazinan-4-one
SMILESCN1C(=O)CC(c2ccccc2)SC1=S
InChIInChI=1S/C11H11NOS2/c1-12-10(13)7-9(15-11(12)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyJUIPHBNGVMYMNP-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.61
Rot. Bonds1

About 3-methyl-6-phenyl-2-sulfanylidene-1,3-thiazinan-4-one

3-methyl-6-phenyl-2-sulfanylidene-1,3-thiazinan-4-one (PubChem CID 14142764) has the molecular formula C11H11NOS2 and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-methyl-6-phenyl-2-sulfanylidene-1,3-thiazinan-4-one.

Molecular Properties

Compound Name3-methyl-6-phenyl-2-sulfanylidene-1,3-thiazinan-4-one
PubChem CID14142764
Molecular FormulaC11H11NOS2
Molecular Weight237.35 g/mol
Exact Mass237.03
IUPAC Name3-methyl-6-phenyl-2-sulfanylidene-1,3-thiazinan-4-one
SMILESCN1C(=O)CC(c2ccccc2)SC1=S
InChIInChI=1S/C11H11NOS2/c1-12-10(13)7-9(15-11(12)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyJUIPHBNGVMYMNP-UHFFFAOYSA-N
XLogP2.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-6-phenyl-2-sulfanylidene-1,3-thiazinan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-2-phenyl-7-(trifluoromethyl)-2,3-dihydro-1,5-benzothiazepin-4-one
CID 132936882
tert-butyl 4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepine-5-carboxylate
CID 132936879
4-(dimethylamino)-2-phenyl-2,3-dihydrothiopyran-6-thione
CID 12661900
6-tert-butyl-2-phenyl-2,3-dihydrothiopyran-4-one
CID 102383505
(2S)-4-hydroxy-2-phenyl-2,3-dihydrothiopyran-6-thione
CID 136721068
(4S)-1-methyl-4-phenylpyrrolidin-2-one
CID 67575934
N-(4-ethylphenyl)-2-[(2R)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide
CID 40504732
2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
CID 4145824
2-(4-methoxyphenyl)-5-propyl-2,3-dihydro-1,5-benzothiazepin-4-one
CID 4145870
8-ethoxy-2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one
CID 2928550
N-(4-butylphenyl)-2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
CID 43953632
2-(3-methylphenyl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
CID 4229508

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-2-sulfanylidene-1,3-thiazinan-4-one?
The IUPAC name of 3-methyl-6-phenyl-2-sulfanylidene-1,3-thiazinan-4-one (CID 14142764) is 3-methyl-6-phenyl-2-sulfanylidene-1,3-thiazinan-4-one.
What is the SMILES notation for 3-methyl-6-phenyl-2-sulfanylidene-1,3-thiazinan-4-one?
The canonical SMILES for 3-methyl-6-phenyl-2-sulfanylidene-1,3-thiazinan-4-one is CN1C(=O)CC(c2ccccc2)SC1=S.
What is the InChIKey of 3-methyl-6-phenyl-2-sulfanylidene-1,3-thiazinan-4-one?
The InChIKey is JUIPHBNGVMYMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS2/c1-12-10(13)7-9(15-11(12)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3.
What are the key properties of 3-methyl-6-phenyl-2-sulfanylidene-1,3-thiazinan-4-one?
3-methyl-6-phenyl-2-sulfanylidene-1,3-thiazinan-4-one has a molecular weight of 237.35 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenyl-2-sulfanylidene-1,3-thiazinan-4-one is sourced from PubChem (CID 14142764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).