N-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide

C12H14Cl2N2O3S — CID 80520720

IUPACN-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2N2O3S/c13-9-2-1-3-10(14)12(9)16-11(17)6-8-7-20(18,19)5-4-15-8/h1-3,8,15H,4-7H2,(H,16,17)
InChIKeyFEOBZKKHSGBZTR-UHFFFAOYSA-N
MW337.23 g/mol
LogP1.71
Rot. Bonds3

About N-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide

N-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (PubChem CID 80520720) has the molecular formula C12H14Cl2N2O3S and a molecular weight of 337.23 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
PubChem CID80520720
Molecular FormulaC12H14Cl2N2O3S
Molecular Weight337.23 g/mol
Exact Mass336.01
IUPAC NameN-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2N2O3S/c13-9-2-1-3-10(14)12(9)16-11(17)6-8-7-20(18,19)5-4-15-8/h1-3,8,15H,4-7H2,(H,16,17)
InChIKeyFEOBZKKHSGBZTR-UHFFFAOYSA-N
XLogP1.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519806
N-(2,6-dibromophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 107599760
N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520515
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pyridin-4-ylacetamide
CID 80519870
N-(2-bromo-6-chloro-4-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 107612021
N-(2-chloro-4-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519948
N-(3-chloro-4-methylphenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520493
N-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80518042
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-iodophenyl)acetamide
CID 80519811
N-(3-bromo-2-pyridinyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520883
N-[1-(3-chlorophenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80518150
N-(2,3-dihydro-1H-inden-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 107842832

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (CID 80520720) is N-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is O=C(CC1CS(=O)(=O)CCN1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The InChIKey is FEOBZKKHSGBZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3S/c13-9-2-1-3-10(14)12(9)16-11(17)6-8-7-20(18,19)5-4-15-8/h1-3,8,15H,4-7H2,(H,16,17).
What are the key properties of N-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
N-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide has a molecular weight of 337.23 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is sourced from PubChem (CID 80520720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).