(4-chloro-3-methylphenyl)-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)methanone

C16H16ClNO3S2 — CID 155368817

IUPAC(4-chloro-3-methylphenyl)-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)methanone
SMILESCc1cc(C(=O)N2CCS(=O)(=O)C(c3cccs3)C2)ccc1Cl
InChIInChI=1S/C16H16ClNO3S2/c1-11-9-12(4-5-13(11)17)16(19)18-6-8-23(20,21)15(10-18)14-3-2-7-22-14/h2-5,7,9,15H,6,8,10H2,1H3
InChIKeyRNEGDOLVDPLWLY-UHFFFAOYSA-N
MW369.90 g/mol
LogP3.32
Rot. Bonds2

About (4-chloro-3-methylphenyl)-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)methanone

(4-chloro-3-methylphenyl)-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)methanone (PubChem CID 155368817) has the molecular formula C16H16ClNO3S2 and a molecular weight of 369.90 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl)-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)methanone
PubChem CID155368817
Molecular FormulaC16H16ClNO3S2
Molecular Weight369.90 g/mol
Exact Mass369.03
IUPAC Name(4-chloro-3-methylphenyl)-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)methanone
SMILESCc1cc(C(=O)N2CCS(=O)(=O)C(c3cccs3)C2)ccc1Cl
InChIInChI=1S/C16H16ClNO3S2/c1-11-9-12(4-5-13(11)17)16(19)18-6-8-23(20,21)15(10-18)14-3-2-7-22-14/h2-5,7,9,15H,6,8,10H2,1H3
InChIKeyRNEGDOLVDPLWLY-UHFFFAOYSA-N
XLogP3.32
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-chloro-3-methylphenyl)-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)methanone 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 (4-chloro-3-methylphenyl)-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (4-chloro-3-methylphenyl)-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)methanone (CID 155368817) is (4-chloro-3-methylphenyl)-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (4-chloro-3-methylphenyl)-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (4-chloro-3-methylphenyl)-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)methanone is Cc1cc(C(=O)N2CCS(=O)(=O)C(c3cccs3)C2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methylphenyl)-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)methanone?
The InChIKey is RNEGDOLVDPLWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S2/c1-11-9-12(4-5-13(11)17)16(19)18-6-8-23(20,21)15(10-18)14-3-2-7-22-14/h2-5,7,9,15H,6,8,10H2,1H3.
What are the key properties of (4-chloro-3-methylphenyl)-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)methanone?
(4-chloro-3-methylphenyl)-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)methanone has a molecular weight of 369.90 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenyl)-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 155368817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).