1-[3-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxopropyl]pyrrolidin-2-one

C16H20N2O2S — CID 71856449

IUPAC1-[3-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxopropyl]pyrrolidin-2-one
SMILESCC1CN(C(=O)CCN2CCCC2=O)c2ccccc2S1
InChIInChI=1S/C16H20N2O2S/c1-12-11-18(13-5-2-3-6-14(13)21-12)16(20)8-10-17-9-4-7-15(17)19/h2-3,5-6,12H,4,7-11H2,1H3
InChIKeyDXUVLKNNLUARDJ-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.53
Rot. Bonds3

About 1-[3-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxopropyl]pyrrolidin-2-one

1-[3-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxopropyl]pyrrolidin-2-one (PubChem CID 71856449) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-[3-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxopropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxopropyl]pyrrolidin-2-one
PubChem CID71856449
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name1-[3-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxopropyl]pyrrolidin-2-one
SMILESCC1CN(C(=O)CCN2CCCC2=O)c2ccccc2S1
InChIInChI=1S/C16H20N2O2S/c1-12-11-18(13-5-2-3-6-14(13)21-12)16(20)8-10-17-9-4-7-15(17)19/h2-3,5-6,12H,4,7-11H2,1H3
InChIKeyDXUVLKNNLUARDJ-UHFFFAOYSA-N
XLogP2.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxopropyl]pyrrolidin-2-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

1-[3-oxo-3-[(3S)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]propyl]pyrrolidin-2-one
CID 95971935
methyl 4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoate
CID 110738049
1-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione
CID 20899611
1-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 97008361
4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-propylbutanamide
CID 20899630
1-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]-3-(4-nitropyrazol-1-yl)propan-1-one
CID 97053553
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide
CID 20899639
2-(2-methoxyphenoxy)-1-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 110738067
N-[(4-methoxyphenyl)methyl]-4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide
CID 20899624
N-[2-(4-chlorophenyl)ethyl]-4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide
CID 20899617
1-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone
CID 71972315
3-[3-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-3-oxopropyl]quinazolin-4-one
CID 30155711

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxopropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxopropyl]pyrrolidin-2-one (CID 71856449) is 1-[3-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxopropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxopropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxopropyl]pyrrolidin-2-one is CC1CN(C(=O)CCN2CCCC2=O)c2ccccc2S1.
What is the InChIKey of 1-[3-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxopropyl]pyrrolidin-2-one?
The InChIKey is DXUVLKNNLUARDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-11-18(13-5-2-3-6-14(13)21-12)16(20)8-10-17-9-4-7-15(17)19/h2-3,5-6,12H,4,7-11H2,1H3.
What are the key properties of 1-[3-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxopropyl]pyrrolidin-2-one?
1-[3-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxopropyl]pyrrolidin-2-one has a molecular weight of 304.41 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxopropyl]pyrrolidin-2-one is sourced from PubChem (CID 71856449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).