3-methyl-4-(3,5,6-trichloro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide

C10H11Cl3N2O2S — CID 102885437

IUPAC3-methyl-4-(3,5,6-trichloro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H11Cl3N2O2S/c1-6-5-18(16,17)3-2-15(6)10-8(12)4-7(11)9(13)14-10/h4,6H,2-3,5H2,1H3
InChIKeySSBOHBKARFDGAE-UHFFFAOYSA-N
MW329.64 g/mol
LogP2.67
Rot. Bonds1

About 3-methyl-4-(3,5,6-trichloro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide

3-methyl-4-(3,5,6-trichloro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 102885437) has the molecular formula C10H11Cl3N2O2S and a molecular weight of 329.64 g/mol. Its IUPAC name is 3-methyl-4-(3,5,6-trichloro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-methyl-4-(3,5,6-trichloro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide
PubChem CID102885437
Molecular FormulaC10H11Cl3N2O2S
Molecular Weight329.64 g/mol
Exact Mass327.96
IUPAC Name3-methyl-4-(3,5,6-trichloro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H11Cl3N2O2S/c1-6-5-18(16,17)3-2-15(6)10-8(12)4-7(11)9(13)14-10/h4,6H,2-3,5H2,1H3
InChIKeySSBOHBKARFDGAE-UHFFFAOYSA-N
XLogP2.67
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.64
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(5-bromo-3-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 103583476
4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885503
6-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxylic acid
CID 102883883
3,5-difluoro-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridin-2-amine
CID 114074771
4-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazole-5-carbaldehyde
CID 102884277
4-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885486
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile
CID 102883404
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrazin-2-one
CID 102888057
[1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)isoquinolin-3-yl]methanol
CID 102885836
4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinazolin-2-amine
CID 102887639
5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde
CID 102884286
1-[2-chloro-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanone
CID 102883913

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3,5,6-trichloro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-methyl-4-(3,5,6-trichloro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide (CID 102885437) is 3-methyl-4-(3,5,6-trichloro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-methyl-4-(3,5,6-trichloro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-methyl-4-(3,5,6-trichloro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide is CC1CS(=O)(=O)CCN1c1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3-methyl-4-(3,5,6-trichloro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is SSBOHBKARFDGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl3N2O2S/c1-6-5-18(16,17)3-2-15(6)10-8(12)4-7(11)9(13)14-10/h4,6H,2-3,5H2,1H3.
What are the key properties of 3-methyl-4-(3,5,6-trichloro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide?
3-methyl-4-(3,5,6-trichloro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 329.64 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3,5,6-trichloro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 102885437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).