3-(2-fluorophenyl)sulfinylthiolane 1,1-dioxide

C10H11FO3S2 — CID 64715422

IUPAC3-(2-fluorophenyl)sulfinylthiolane 1,1-dioxide
SMILESO=S(c1ccccc1F)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H11FO3S2/c11-9-3-1-2-4-10(9)15(12)8-5-6-16(13,14)7-8/h1-4,8H,5-7H2
InChIKeyHRQKCOCGSZLVMS-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.12
Rot. Bonds2

About 3-(2-fluorophenyl)sulfinylthiolane 1,1-dioxide

3-(2-fluorophenyl)sulfinylthiolane 1,1-dioxide (PubChem CID 64715422) has the molecular formula C10H11FO3S2 and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfinylthiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfinylthiolane 1,1-dioxide
PubChem CID64715422
Molecular FormulaC10H11FO3S2
Molecular Weight262.33 g/mol
Exact Mass262.01
IUPAC Name3-(2-fluorophenyl)sulfinylthiolane 1,1-dioxide
SMILESO=S(c1ccccc1F)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H11FO3S2/c11-9-3-1-2-4-10(9)15(12)8-5-6-16(13,14)7-8/h1-4,8H,5-7H2
InChIKeyHRQKCOCGSZLVMS-UHFFFAOYSA-N
XLogP1.12
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 81182039
2-(1,1-dioxothiolan-3-yl)sulfinylpyridin-3-amine
CID 61367917
2-(2-fluorophenyl)sulfinylcyclohexan-1-ol
CID 64717103
5-(1,1-dioxothiolan-3-yl)sulfinylfuran-2-carboxylic acid
CID 63947392
N-[1-(2-fluorophenyl)ethyl]-1,1-dioxothiolan-3-amine
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1-(1,1-dioxothiolan-3-yl)-N-[(2-fluorophenyl)methyl]methanamine
CID 60733465
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide
CID 60605416
N-[2-(1,1-dioxothiolan-3-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110722984
2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfinamide
CID 167963266
2-(2-fluorophenyl)sulfinyl-4-propylcyclohexane-1-carbonitrile
CID 64689837
2-[2-(2-fluorophenyl)sulfinylethyl]cyclopentan-1-amine
CID 79581435
N-[(2-fluorophenyl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 134012637

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfinylthiolane 1,1-dioxide?
The IUPAC name of 3-(2-fluorophenyl)sulfinylthiolane 1,1-dioxide (CID 64715422) is 3-(2-fluorophenyl)sulfinylthiolane 1,1-dioxide.
What is the SMILES notation for 3-(2-fluorophenyl)sulfinylthiolane 1,1-dioxide?
The canonical SMILES for 3-(2-fluorophenyl)sulfinylthiolane 1,1-dioxide is O=S(c1ccccc1F)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-(2-fluorophenyl)sulfinylthiolane 1,1-dioxide?
The InChIKey is HRQKCOCGSZLVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3S2/c11-9-3-1-2-4-10(9)15(12)8-5-6-16(13,14)7-8/h1-4,8H,5-7H2.
What are the key properties of 3-(2-fluorophenyl)sulfinylthiolane 1,1-dioxide?
3-(2-fluorophenyl)sulfinylthiolane 1,1-dioxide has a molecular weight of 262.33 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfinylthiolane 1,1-dioxide is sourced from PubChem (CID 64715422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).