(3R)-3-(4-methylphenoxy)thiolane 1,1-dioxide

C11H14O3S — CID 7102407

IUPAC(3R)-3-(4-methylphenoxy)thiolane 1,1-dioxide
SMILESCc1ccc(O[C@@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C11H14O3S/c1-9-2-4-10(5-3-9)14-11-6-7-15(12,13)8-11/h2-5,11H,6-8H2,1H3/t11-/m1/s1
InChIKeyFECFVOFOBNGYJW-LLVKDONJSA-N
MW226.30 g/mol
LogP1.56
Rot. Bonds2

About (3R)-3-(4-methylphenoxy)thiolane 1,1-dioxide

(3R)-3-(4-methylphenoxy)thiolane 1,1-dioxide (PubChem CID 7102407) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is (3R)-3-(4-methylphenoxy)thiolane 1,1-dioxide.

Molecular Properties

Compound Name(3R)-3-(4-methylphenoxy)thiolane 1,1-dioxide
PubChem CID7102407
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Name(3R)-3-(4-methylphenoxy)thiolane 1,1-dioxide
SMILESCc1ccc(O[C@@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C11H14O3S/c1-9-2-4-10(5-3-9)14-11-6-7-15(12,13)8-11/h2-5,11H,6-8H2,1H3/t11-/m1/s1
InChIKeyFECFVOFOBNGYJW-LLVKDONJSA-N
XLogP1.56
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,1-dioxothiolan-3-yl)oxybenzonitrile
CID 61058416
2-[4-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanamine
CID 54914820
1-[4-(1,1-dioxothiolan-3-yl)oxyphenyl]propan-2-ol
CID 113323142
3-(4-bromo-3,5-dimethylphenoxy)thiolane 1,1-dioxide
CID 107723638
[(3S)-1,1-dioxothiolan-3-yl] 4-methylbenzoate
CID 40530092
2-(1,1-dioxothiolan-3-yl)oxy-5-methylaniline
CID 61313611
1-[2-(1,1-dioxothiolan-3-yl)oxy-4-methylphenyl]ethanone
CID 63651713
(1R)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-methylphenyl]ethanamine
CID 55246862
3-(1,1-dioxothiolan-3-yl)oxy-4-methylaniline
CID 61058879
1-[2-(1,1-dioxothiolan-3-yl)oxy-4-methylphenyl]ethanol
CID 55246678
3-(2,3-dimethylphenoxy)thiolane 1,1-dioxide
CID 83381393
4-phenoxythiane 1,1-dioxide
CID 141273372

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methylphenoxy)thiolane 1,1-dioxide?
The IUPAC name of (3R)-3-(4-methylphenoxy)thiolane 1,1-dioxide (CID 7102407) is (3R)-3-(4-methylphenoxy)thiolane 1,1-dioxide.
What is the SMILES notation for (3R)-3-(4-methylphenoxy)thiolane 1,1-dioxide?
The canonical SMILES for (3R)-3-(4-methylphenoxy)thiolane 1,1-dioxide is Cc1ccc(O[C@@H]2CCS(=O)(=O)C2)cc1.
What is the InChIKey of (3R)-3-(4-methylphenoxy)thiolane 1,1-dioxide?
The InChIKey is FECFVOFOBNGYJW-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14O3S/c1-9-2-4-10(5-3-9)14-11-6-7-15(12,13)8-11/h2-5,11H,6-8H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-3-(4-methylphenoxy)thiolane 1,1-dioxide?
(3R)-3-(4-methylphenoxy)thiolane 1,1-dioxide has a molecular weight of 226.30 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methylphenoxy)thiolane 1,1-dioxide is sourced from PubChem (CID 7102407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).