3-(4,6-dichloropyrimidin-2-yl)thiolane 1,1-dioxide

C8H8Cl2N2O2S — CID 115336168

IUPAC3-(4,6-dichloropyrimidin-2-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(c2nc(Cl)cc(Cl)n2)C1
InChIInChI=1S/C8H8Cl2N2O2S/c9-6-3-7(10)12-8(11-6)5-1-2-15(13,14)4-5/h3,5H,1-2,4H2
InChIKeyQUVTVGGMCMOJIA-UHFFFAOYSA-N
MW267.14 g/mol
LogP1.69
Rot. Bonds1

About 3-(4,6-dichloropyrimidin-2-yl)thiolane 1,1-dioxide

3-(4,6-dichloropyrimidin-2-yl)thiolane 1,1-dioxide (PubChem CID 115336168) has the molecular formula C8H8Cl2N2O2S and a molecular weight of 267.14 g/mol. Its IUPAC name is 3-(4,6-dichloropyrimidin-2-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(4,6-dichloropyrimidin-2-yl)thiolane 1,1-dioxide
PubChem CID115336168
Molecular FormulaC8H8Cl2N2O2S
Molecular Weight267.14 g/mol
Exact Mass265.97
IUPAC Name3-(4,6-dichloropyrimidin-2-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(c2nc(Cl)cc(Cl)n2)C1
InChIInChI=1S/C8H8Cl2N2O2S/c9-6-3-7(10)12-8(11-6)5-1-2-15(13,14)4-5/h3,5H,1-2,4H2
InChIKeyQUVTVGGMCMOJIA-UHFFFAOYSA-N
XLogP1.69
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.14
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4,6-dichloropyrimidin-2-yl)thiolane 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

Related Compounds

3-(5-chloro-1,2,4-thiadiazol-3-yl)thiolane 1,1-dioxide
CID 115337631
2-(1,1-dioxothiolan-3-yl)-6-methylpyrimidine-4-carboxylic acid
CID 115337398
3-[5-(chloromethyl)-1H-1,2,4-triazol-3-yl]thiolane 1,1-dioxide
CID 115338662
3-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 133431793
4,6-dichloro-2-cycloundecylpyrimidine
CID 123163685
3-(5-bromo-4-chloro-6-ethylpyrimidin-2-yl)thiolane 1,1-dioxide
CID 115336186
3-(4-chloro-5-iodo-6-propylpyrimidin-2-yl)thiolane 1,1-dioxide
CID 115336183
3-(5-chloropyridazin-3-yl)thiolane 1,1-dioxide
CID 117105014
2-(1,1-dioxothiolan-3-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 115337211
2-chloro-5-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115336002
3-chloro-4-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115335833
3-(3-chloro-1,2,4-oxadiazol-5-yl)thiolane 1,1-dioxide
CID 112572058

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dichloropyrimidin-2-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(4,6-dichloropyrimidin-2-yl)thiolane 1,1-dioxide (CID 115336168) is 3-(4,6-dichloropyrimidin-2-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(4,6-dichloropyrimidin-2-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(4,6-dichloropyrimidin-2-yl)thiolane 1,1-dioxide is O=S1(=O)CCC(c2nc(Cl)cc(Cl)n2)C1.
What is the InChIKey of 3-(4,6-dichloropyrimidin-2-yl)thiolane 1,1-dioxide?
The InChIKey is QUVTVGGMCMOJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O2S/c9-6-3-7(10)12-8(11-6)5-1-2-15(13,14)4-5/h3,5H,1-2,4H2.
What are the key properties of 3-(4,6-dichloropyrimidin-2-yl)thiolane 1,1-dioxide?
3-(4,6-dichloropyrimidin-2-yl)thiolane 1,1-dioxide has a molecular weight of 267.14 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dichloropyrimidin-2-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 115336168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).