3-(2-chloro-1H-imidazol-5-yl)thiolane 1,1-dioxide

C7H9ClN2O2S — CID 117259808

IUPAC3-(2-chloro-1H-imidazol-5-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(c2cnc(Cl)[nH]2)C1
InChIInChI=1S/C7H9ClN2O2S/c8-7-9-3-6(10-7)5-1-2-13(11,12)4-5/h3,5H,1-2,4H2,(H,9,10)
InChIKeyXXXUDSFFAQRGFR-UHFFFAOYSA-N
MW220.68 g/mol
LogP0.97
Rot. Bonds1

About 3-(2-chloro-1H-imidazol-5-yl)thiolane 1,1-dioxide

3-(2-chloro-1H-imidazol-5-yl)thiolane 1,1-dioxide (PubChem CID 117259808) has the molecular formula C7H9ClN2O2S and a molecular weight of 220.68 g/mol. Its IUPAC name is 3-(2-chloro-1H-imidazol-5-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(2-chloro-1H-imidazol-5-yl)thiolane 1,1-dioxide
PubChem CID117259808
Molecular FormulaC7H9ClN2O2S
Molecular Weight220.68 g/mol
Exact Mass220.01
IUPAC Name3-(2-chloro-1H-imidazol-5-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(c2cnc(Cl)[nH]2)C1
InChIInChI=1S/C7H9ClN2O2S/c8-7-9-3-6(10-7)5-1-2-13(11,12)4-5/h3,5H,1-2,4H2,(H,9,10)
InChIKeyXXXUDSFFAQRGFR-UHFFFAOYSA-N
XLogP0.97
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-1H-imidazol-2-yl)thiolane 1,1-dioxide
CID 117259132
3-(5-chloropyridazin-3-yl)thiolane 1,1-dioxide
CID 117105014
3-(4,6-dichloropyrimidin-2-yl)thiolane 1,1-dioxide
CID 115336168
N-[[2-(1,1-dioxothiolan-3-yl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 113289882
3-(5-chloro-1,2,4-thiadiazol-3-yl)thiolane 1,1-dioxide
CID 115337631
1-[2-(1,1-dioxothiolan-3-yl)-1,3-oxazol-5-yl]ethanamine
CID 115084978
N-[[2-(1,1-dioxothiolan-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 115337463
(1S)-1-[2-(1,1-dioxothiolan-3-yl)-4-methylpyrimidin-5-yl]ethanol
CID 103431589
8-(1,1-dioxothiolan-3-yl)-7H-purin-6-amine
CID 114608252
3-(3H-imidazo[4,5-c]pyridin-2-yl)thiolane 1,1-dioxide
CID 64906009
3-(3-chloro-1,2,4-oxadiazol-5-yl)thiolane 1,1-dioxide
CID 112572058
2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-4-ol
CID 130501450

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-1H-imidazol-5-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(2-chloro-1H-imidazol-5-yl)thiolane 1,1-dioxide (CID 117259808) is 3-(2-chloro-1H-imidazol-5-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(2-chloro-1H-imidazol-5-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(2-chloro-1H-imidazol-5-yl)thiolane 1,1-dioxide is O=S1(=O)CCC(c2cnc(Cl)[nH]2)C1.
What is the InChIKey of 3-(2-chloro-1H-imidazol-5-yl)thiolane 1,1-dioxide?
The InChIKey is XXXUDSFFAQRGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2S/c8-7-9-3-6(10-7)5-1-2-13(11,12)4-5/h3,5H,1-2,4H2,(H,9,10).
What are the key properties of 3-(2-chloro-1H-imidazol-5-yl)thiolane 1,1-dioxide?
3-(2-chloro-1H-imidazol-5-yl)thiolane 1,1-dioxide has a molecular weight of 220.68 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-1H-imidazol-5-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 117259808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).