(2,4-dichlorophenyl)-[(2R)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone

C15H13Cl2NO3S2 — CID 155421620

IUPAC(2,4-dichlorophenyl)-[(2R)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCS(=O)(=O)[C@@H](c2cccs2)C1
InChIInChI=1S/C15H13Cl2NO3S2/c16-10-3-4-11(12(17)8-10)15(19)18-5-7-23(20,21)14(9-18)13-2-1-6-22-13/h1-4,6,8,14H,5,7,9H2/t14-/m1/s1
InChIKeyGXYWRPHTXZZCDW-CQSZACIVSA-N
MW390.31 g/mol
LogP3.67
Rot. Bonds2

About (2,4-dichlorophenyl)-[(2R)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone

(2,4-dichlorophenyl)-[(2R)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone (PubChem CID 155421620) has the molecular formula C15H13Cl2NO3S2 and a molecular weight of 390.31 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[(2R)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[(2R)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone
PubChem CID155421620
Molecular FormulaC15H13Cl2NO3S2
Molecular Weight390.31 g/mol
Exact Mass388.97
IUPAC Name(2,4-dichlorophenyl)-[(2R)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCS(=O)(=O)[C@@H](c2cccs2)C1
InChIInChI=1S/C15H13Cl2NO3S2/c16-10-3-4-11(12(17)8-10)15(19)18-5-7-23(20,21)14(9-18)13-2-1-6-22-13/h1-4,6,8,14H,5,7,9H2/t14-/m1/s1
InChIKeyGXYWRPHTXZZCDW-CQSZACIVSA-N
XLogP3.67
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,4-dichlorophenyl)-[(2R)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone with MolForge

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Related Compounds

(4-chloro-3-methylphenyl)-[(2R)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone
CID 155421496
(4-chloro-3-methylphenyl)-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)methanone
CID 155368817
(5-bromo-2-chlorophenyl)-[(7R)-1,1-dioxo-7-thiophen-2-yl-1,4-thiazepan-4-yl]methanone
CID 129357064
(2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671362
(1,1-dioxo-7-thiophen-2-yl-1,4-thiazepan-4-yl)-(3-fluoro-4-pyridinyl)methanone
CID 121021492
[(7R)-1,1-dioxo-7-thiophen-2-yl-1,4-thiazepan-4-yl]-(2-methylphenyl)methanone
CID 129357176
3-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-7-thiophen-2-yl-1,4-thiazepan-4-yl)propan-1-one
CID 119104306
(1,1-dioxo-7-thiophen-2-yl-1,4-thiazepan-4-yl)-naphthalen-1-ylmethanone
CID 121191418
(2,4-dichlorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662344
(1,1-dioxo-7-thiophen-2-yl-1,4-thiazepan-4-yl)-(2-ethylsulfanylphenyl)methanone
CID 121191476
1-(1,1-dioxo-7-thiophen-2-yl-1,4-thiazepan-4-yl)-2-methylpropan-1-one
CID 121191350
(1,1-dioxo-7-thiophen-2-yl-1,4-thiazepan-4-yl)-(3-methylphenyl)methanone
CID 121191372

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[(2R)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone?
The IUPAC name of (2,4-dichlorophenyl)-[(2R)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone (CID 155421620) is (2,4-dichlorophenyl)-[(2R)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-[(2R)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone?
The canonical SMILES for (2,4-dichlorophenyl)-[(2R)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone is O=C(c1ccc(Cl)cc1Cl)N1CCS(=O)(=O)[C@@H](c2cccs2)C1.
What is the InChIKey of (2,4-dichlorophenyl)-[(2R)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone?
The InChIKey is GXYWRPHTXZZCDW-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13Cl2NO3S2/c16-10-3-4-11(12(17)8-10)15(19)18-5-7-23(20,21)14(9-18)13-2-1-6-22-13/h1-4,6,8,14H,5,7,9H2/t14-/m1/s1.
What are the key properties of (2,4-dichlorophenyl)-[(2R)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone?
(2,4-dichlorophenyl)-[(2R)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone has a molecular weight of 390.31 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[(2R)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone is sourced from PubChem (CID 155421620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).