5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(4-methylphenyl)-6-thiophen-2-ylpiperidin-2-one

C21H24N2O4S2 — CID 56551216

IUPAC5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(4-methylphenyl)-6-thiophen-2-ylpiperidin-2-one
SMILESCc1ccc(N2C(=O)CCC(C(=O)N3CCS(=O)(=O)CC3)C2c2cccs2)cc1
InChIInChI=1S/C21H24N2O4S2/c1-15-4-6-16(7-5-15)23-19(24)9-8-17(20(23)18-3-2-12-28-18)21(25)22-10-13-29(26,27)14-11-22/h2-7,12,17,20H,8-11,13-14H2,1H3
InChIKeyVPBFYLDDCXAERH-UHFFFAOYSA-N
MW432.57 g/mol
LogP2.80
Rot. Bonds3

About 5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(4-methylphenyl)-6-thiophen-2-ylpiperidin-2-one

5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(4-methylphenyl)-6-thiophen-2-ylpiperidin-2-one (PubChem CID 56551216) has the molecular formula C21H24N2O4S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(4-methylphenyl)-6-thiophen-2-ylpiperidin-2-one.

Molecular Properties

Compound Name5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(4-methylphenyl)-6-thiophen-2-ylpiperidin-2-one
PubChem CID56551216
Molecular FormulaC21H24N2O4S2
Molecular Weight432.57 g/mol
Exact Mass432.12
IUPAC Name5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(4-methylphenyl)-6-thiophen-2-ylpiperidin-2-one
SMILESCc1ccc(N2C(=O)CCC(C(=O)N3CCS(=O)(=O)CC3)C2c2cccs2)cc1
InChIInChI=1S/C21H24N2O4S2/c1-15-4-6-16(7-5-15)23-19(24)9-8-17(20(23)18-3-2-12-28-18)21(25)22-10-13-29(26,27)14-11-22/h2-7,12,17,20H,8-11,13-14H2,1H3
InChIKeyVPBFYLDDCXAERH-UHFFFAOYSA-N
XLogP2.80
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(4-methylphenyl)-6-thiophen-2-ylpiperidin-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

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(4-methylphenyl)-6-thiophen-2-ylpiperidin-2-one?
The IUPAC name of 5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(4-methylphenyl)-6-thiophen-2-ylpiperidin-2-one (CID 56551216) is 5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(4-methylphenyl)-6-thiophen-2-ylpiperidin-2-one.
What is the SMILES notation for 5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(4-methylphenyl)-6-thiophen-2-ylpiperidin-2-one?
The canonical SMILES for 5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(4-methylphenyl)-6-thiophen-2-ylpiperidin-2-one is Cc1ccc(N2C(=O)CCC(C(=O)N3CCS(=O)(=O)CC3)C2c2cccs2)cc1.
What is the InChIKey of 5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(4-methylphenyl)-6-thiophen-2-ylpiperidin-2-one?
The InChIKey is VPBFYLDDCXAERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S2/c1-15-4-6-16(7-5-15)23-19(24)9-8-17(20(23)18-3-2-12-28-18)21(25)22-10-13-29(26,27)14-11-22/h2-7,12,17,20H,8-11,13-14H2,1H3.
What are the key properties of 5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(4-methylphenyl)-6-thiophen-2-ylpiperidin-2-one?
5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(4-methylphenyl)-6-thiophen-2-ylpiperidin-2-one has a molecular weight of 432.57 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(4-methylphenyl)-6-thiophen-2-ylpiperidin-2-one is sourced from PubChem (CID 56551216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).