2-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzothiazin-3-one

C15H18N2O2S — CID 3229393

IUPAC2-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzothiazin-3-one
SMILESCC1Sc2ccccc2N(CC(=O)N2CCCC2)C1=O
InChIInChI=1S/C15H18N2O2S/c1-11-15(19)17(10-14(18)16-8-4-5-9-16)12-6-2-3-7-13(12)20-11/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKeyBCQXLIKFAZSTSJ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.14
Rot. Bonds2

About 2-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzothiazin-3-one

2-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzothiazin-3-one (PubChem CID 3229393) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name2-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzothiazin-3-one
PubChem CID3229393
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzothiazin-3-one
SMILESCC1Sc2ccccc2N(CC(=O)N2CCCC2)C1=O
InChIInChI=1S/C15H18N2O2S/c1-11-15(19)17(10-14(18)16-8-4-5-9-16)12-6-2-3-7-13(12)20-11/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKeyBCQXLIKFAZSTSJ-UHFFFAOYSA-N
XLogP2.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzothiazin-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzothiazin-3-one?
The IUPAC name of 2-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzothiazin-3-one (CID 3229393) is 2-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzothiazin-3-one.
What is the SMILES notation for 2-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzothiazin-3-one?
The canonical SMILES for 2-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzothiazin-3-one is CC1Sc2ccccc2N(CC(=O)N2CCCC2)C1=O.
What is the InChIKey of 2-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzothiazin-3-one?
The InChIKey is BCQXLIKFAZSTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-15(19)17(10-14(18)16-8-4-5-9-16)12-6-2-3-7-13(12)20-11/h2-3,6-7,11H,4-5,8-10H2,1H3.
What are the key properties of 2-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzothiazin-3-one?
2-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzothiazin-3-one has a molecular weight of 290.39 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzothiazin-3-one is sourced from PubChem (CID 3229393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).