3-cyclohexyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide

C17H22N2O2S — CID 31720740

IUPAC3-cyclohexyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
SMILESO=C(CCC1CCCCC1)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C17H22N2O2S/c20-16(9-6-12-4-2-1-3-5-12)18-13-7-8-15-14(10-13)19-17(21)11-22-15/h7-8,10,12H,1-6,9,11H2,(H,18,20)(H,19,21)
InChIKeyITQOXOIIKSMYEM-UHFFFAOYSA-N
MW318.44 g/mol
LogP4.03
Rot. Bonds4

About 3-cyclohexyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide

3-cyclohexyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide (PubChem CID 31720740) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 3-cyclohexyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
PubChem CID31720740
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name3-cyclohexyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
SMILESO=C(CCC1CCCCC1)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C17H22N2O2S/c20-16(9-6-12-4-2-1-3-5-12)18-13-7-8-15-14(10-13)19-17(21)11-22-15/h7-8,10,12H,1-6,9,11H2,(H,18,20)(H,19,21)
InChIKeyITQOXOIIKSMYEM-UHFFFAOYSA-N
XLogP4.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-cyclohexyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide 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

3-hydroxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 115138762
3-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 43699746
2-(cyclopentylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 60850681
3-cyclopentyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 18570800
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylpropanamide
CID 37015148
(2R)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-2-carboxamide
CID 103808228
2-amino-2-cyclopropyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 60867171
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-thiophen-3-ylpropanamide
CID 37015324
3-cyclohexyl-N-(6-oxo-5H-benzo[b][1,4]benzothiazepin-8-yl)propanamide
CID 118373527
3-cyclopentyl-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)propanamide
CID 75361156
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-phenoxybutanamide
CID 31721130
3-(2-fluorophenyl)sulfanyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 38723282

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide (CID 31720740) is 3-cyclohexyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide is O=C(CCC1CCCCC1)Nc1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of 3-cyclohexyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide?
The InChIKey is ITQOXOIIKSMYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c20-16(9-6-12-4-2-1-3-5-12)18-13-7-8-15-14(10-13)19-17(21)11-22-15/h7-8,10,12H,1-6,9,11H2,(H,18,20)(H,19,21).
What are the key properties of 3-cyclohexyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide?
3-cyclohexyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide has a molecular weight of 318.44 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide is sourced from PubChem (CID 31720740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).