N-(3-chloro-4-methylphenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide

C13H17ClN2O3S — CID 80520493

IUPACN-(3-chloro-4-methylphenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESCc1ccc(NC(=O)CC2CS(=O)(=O)CCN2)cc1Cl
InChIInChI=1S/C13H17ClN2O3S/c1-9-2-3-10(6-12(9)14)16-13(17)7-11-8-20(18,19)5-4-15-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyGMXLWEUUXVGJDH-UHFFFAOYSA-N
MW316.81 g/mol
LogP1.36
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide

N-(3-chloro-4-methylphenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (PubChem CID 80520493) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
PubChem CID80520493
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESCc1ccc(NC(=O)CC2CS(=O)(=O)CCN2)cc1Cl
InChIInChI=1S/C13H17ClN2O3S/c1-9-2-3-10(6-12(9)14)16-13(17)7-11-8-20(18,19)5-4-15-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyGMXLWEUUXVGJDH-UHFFFAOYSA-N
XLogP1.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-iodo-4-methylphenyl)acetamide
CID 80519865
N-(3-chloro-4-methylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7222844
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pyridin-4-ylacetamide
CID 80519870
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-iodophenyl)acetamide
CID 80519811
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-(1H-indol-5-yl)acetamide
CID 80518373
N-(2-chlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519806
N-(2-chloro-4-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519948
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3,4,5-trifluorophenyl)acetamide
CID 80518213
N-(1,3-benzothiazol-6-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 107805198
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113165059
N-(2-bromo-6-chloro-4-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 107612021

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (CID 80520493) is N-(3-chloro-4-methylphenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is Cc1ccc(NC(=O)CC2CS(=O)(=O)CCN2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The InChIKey is GMXLWEUUXVGJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-9-2-3-10(6-12(9)14)16-13(17)7-11-8-20(18,19)5-4-15-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
N-(3-chloro-4-methylphenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide has a molecular weight of 316.81 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is sourced from PubChem (CID 80520493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).