4-(6-chloro-2-ethylsulfanyl-5-methoxypyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide

C11H16ClN3O3S2 — CID 166128540

IUPAC4-(6-chloro-2-ethylsulfanyl-5-methoxypyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESCCSc1nc(Cl)c(OC)c(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C11H16ClN3O3S2/c1-3-19-11-13-9(12)8(18-2)10(14-11)15-4-6-20(16,17)7-5-15/h3-7H2,1-2H3
InChIKeyCJJLOFBLCAFAND-UHFFFAOYSA-N
MW337.85 g/mol
LogP1.49
Rot. Bonds4

About 4-(6-chloro-2-ethylsulfanyl-5-methoxypyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide

4-(6-chloro-2-ethylsulfanyl-5-methoxypyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 166128540) has the molecular formula C11H16ClN3O3S2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 4-(6-chloro-2-ethylsulfanyl-5-methoxypyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(6-chloro-2-ethylsulfanyl-5-methoxypyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID166128540
Molecular FormulaC11H16ClN3O3S2
Molecular Weight337.85 g/mol
Exact Mass337.03
IUPAC Name4-(6-chloro-2-ethylsulfanyl-5-methoxypyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESCCSc1nc(Cl)c(OC)c(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C11H16ClN3O3S2/c1-3-19-11-13-9(12)8(18-2)10(14-11)15-4-6-20(16,17)7-5-15/h3-7H2,1-2H3
InChIKeyCJJLOFBLCAFAND-UHFFFAOYSA-N
XLogP1.49
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(6-chloro-2-ethylsulfanyl-5-methoxypyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide 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-(6-chloro-2-ethylsulfanyl-5-methoxypyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(6-chloro-2-ethylsulfanyl-5-methoxypyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide (CID 166128540) is 4-(6-chloro-2-ethylsulfanyl-5-methoxypyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(6-chloro-2-ethylsulfanyl-5-methoxypyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(6-chloro-2-ethylsulfanyl-5-methoxypyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide is CCSc1nc(Cl)c(OC)c(N2CCS(=O)(=O)CC2)n1.
What is the InChIKey of 4-(6-chloro-2-ethylsulfanyl-5-methoxypyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is CJJLOFBLCAFAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S2/c1-3-19-11-13-9(12)8(18-2)10(14-11)15-4-6-20(16,17)7-5-15/h3-7H2,1-2H3.
What are the key properties of 4-(6-chloro-2-ethylsulfanyl-5-methoxypyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
4-(6-chloro-2-ethylsulfanyl-5-methoxypyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 337.85 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-ethylsulfanyl-5-methoxypyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 166128540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).