3-methyl-2-phenyl-3H-1,2-benzothiazin-4-one

C15H13NOS — CID 172558194

IUPAC3-methyl-2-phenyl-3H-1,2-benzothiazin-4-one
SMILESCC1C(=O)c2ccccc2SN1c1ccccc1
InChIInChI=1S/C15H13NOS/c1-11-15(17)13-9-5-6-10-14(13)18-16(11)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyLDUUGMCGMBGOAZ-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.79
Rot. Bonds1

About 3-methyl-2-phenyl-3H-1,2-benzothiazin-4-one

3-methyl-2-phenyl-3H-1,2-benzothiazin-4-one (PubChem CID 172558194) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-methyl-2-phenyl-3H-1,2-benzothiazin-4-one.

Molecular Properties

Compound Name3-methyl-2-phenyl-3H-1,2-benzothiazin-4-one
PubChem CID172558194
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name3-methyl-2-phenyl-3H-1,2-benzothiazin-4-one
SMILESCC1C(=O)c2ccccc2SN1c1ccccc1
InChIInChI=1S/C15H13NOS/c1-11-15(17)13-9-5-6-10-14(13)18-16(11)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyLDUUGMCGMBGOAZ-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-3H-1,2-benzothiazin-4-one?
The IUPAC name of 3-methyl-2-phenyl-3H-1,2-benzothiazin-4-one (CID 172558194) is 3-methyl-2-phenyl-3H-1,2-benzothiazin-4-one.
What is the SMILES notation for 3-methyl-2-phenyl-3H-1,2-benzothiazin-4-one?
The canonical SMILES for 3-methyl-2-phenyl-3H-1,2-benzothiazin-4-one is CC1C(=O)c2ccccc2SN1c1ccccc1.
What is the InChIKey of 3-methyl-2-phenyl-3H-1,2-benzothiazin-4-one?
The InChIKey is LDUUGMCGMBGOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c1-11-15(17)13-9-5-6-10-14(13)18-16(11)12-7-3-2-4-8-12/h2-11H,1H3.
What are the key properties of 3-methyl-2-phenyl-3H-1,2-benzothiazin-4-one?
3-methyl-2-phenyl-3H-1,2-benzothiazin-4-one has a molecular weight of 255.34 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-3H-1,2-benzothiazin-4-one is sourced from PubChem (CID 172558194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).