3-naphthalen-1-yloxythiolane 1,1-dioxide

C14H14O3S — CID 62113334

IUPAC3-naphthalen-1-yloxythiolane 1,1-dioxide
SMILESO=S1(=O)CCC(Oc2cccc3ccccc23)C1
InChIInChI=1S/C14H14O3S/c15-18(16)9-8-12(10-18)17-14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12H,8-10H2
InChIKeyVANLKHLOJLXZIO-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.41
Rot. Bonds2

About 3-naphthalen-1-yloxythiolane 1,1-dioxide

3-naphthalen-1-yloxythiolane 1,1-dioxide (PubChem CID 62113334) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-naphthalen-1-yloxythiolane 1,1-dioxide.

Molecular Properties

Compound Name3-naphthalen-1-yloxythiolane 1,1-dioxide
PubChem CID62113334
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name3-naphthalen-1-yloxythiolane 1,1-dioxide
SMILESO=S1(=O)CCC(Oc2cccc3ccccc23)C1
InChIInChI=1S/C14H14O3S/c15-18(16)9-8-12(10-18)17-14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12H,8-10H2
InChIKeyVANLKHLOJLXZIO-UHFFFAOYSA-N
XLogP2.41
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,1-dioxothiolan-3-yl)oxynaphthalen-1-amine
CID 63691519
3-[2-(bromomethyl)phenoxy]thiolane 1,1-dioxide
CID 61058893
3-(2,3-dimethylphenoxy)thiolane 1,1-dioxide
CID 83381393
3-(1,1-dioxothiolan-3-yl)oxynaphthalene-2-carboxylic acid
CID 61057124
[2-chloro-6-(1,1-dioxothiolan-3-yl)oxyphenyl]methanamine
CID 113276602
1-[2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanamine
CID 54914959
1-[2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanol
CID 54914608
2-chloro-6-(1,1-dioxothiolan-3-yl)oxybenzaldehyde
CID 54914558
N-[[2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]-2-methylpropan-1-amine
CID 63056818
3-naphthalen-1-yloxyazetidine;hydrochloride
CID 22451506
N-[[2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]-2-methoxyethanamine
CID 63056655
5-(1,1-dioxothiolan-3-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 65455408

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yloxythiolane 1,1-dioxide?
The IUPAC name of 3-naphthalen-1-yloxythiolane 1,1-dioxide (CID 62113334) is 3-naphthalen-1-yloxythiolane 1,1-dioxide.
What is the SMILES notation for 3-naphthalen-1-yloxythiolane 1,1-dioxide?
The canonical SMILES for 3-naphthalen-1-yloxythiolane 1,1-dioxide is O=S1(=O)CCC(Oc2cccc3ccccc23)C1.
What is the InChIKey of 3-naphthalen-1-yloxythiolane 1,1-dioxide?
The InChIKey is VANLKHLOJLXZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c15-18(16)9-8-12(10-18)17-14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12H,8-10H2.
What are the key properties of 3-naphthalen-1-yloxythiolane 1,1-dioxide?
3-naphthalen-1-yloxythiolane 1,1-dioxide has a molecular weight of 262.33 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yloxythiolane 1,1-dioxide is sourced from PubChem (CID 62113334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).