(6S)-2-(benzenesulfonyl)-6-methyloxane

C12H16O3S — CID 14934397

IUPAC(6S)-2-(benzenesulfonyl)-6-methyloxane
SMILESC[C@H]1CCCC(S(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C12H16O3S/c1-10-6-5-9-12(15-10)16(13,14)11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3/t10-,12?/m0/s1
InChIKeyAFIIKHQFAIXQJB-NUHJPDEHSA-N
MW240.32 g/mol
LogP2.38
Rot. Bonds2

About (6S)-2-(benzenesulfonyl)-6-methyloxane

(6S)-2-(benzenesulfonyl)-6-methyloxane (PubChem CID 14934397) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is (6S)-2-(benzenesulfonyl)-6-methyloxane.

Molecular Properties

Compound Name(6S)-2-(benzenesulfonyl)-6-methyloxane
PubChem CID14934397
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Name(6S)-2-(benzenesulfonyl)-6-methyloxane
SMILESC[C@H]1CCCC(S(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C12H16O3S/c1-10-6-5-9-12(15-10)16(13,14)11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3/t10-,12?/m0/s1
InChIKeyAFIIKHQFAIXQJB-NUHJPDEHSA-N
XLogP2.38
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[(Phenylsulfonyl)methyl]oxirane
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2-Ethoxyethylsulfonylbenzene
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2-Propanol, 1-(phenylsulfonyl)-, (S)-
CID 11127286
[3-(Benzenesulfonyl)-4-methylsulfonyloxybutyl] methanesulfonate
CID 282525
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CID 14532897
1-(Benzenesulfonyl)hept-2-yn-4-ol
CID 44326882
2-Octoxyethylsulfonylbenzene
CID 44377556
2-[2-(Benzenesulfonyl)-2-fluoroethyl]-1,4-dioxane
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1-(Benzenesulfonyl)propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of (6S)-2-(benzenesulfonyl)-6-methyloxane?
The IUPAC name of (6S)-2-(benzenesulfonyl)-6-methyloxane (CID 14934397) is (6S)-2-(benzenesulfonyl)-6-methyloxane.
What is the SMILES notation for (6S)-2-(benzenesulfonyl)-6-methyloxane?
The canonical SMILES for (6S)-2-(benzenesulfonyl)-6-methyloxane is C[C@H]1CCCC(S(=O)(=O)c2ccccc2)O1.
What is the InChIKey of (6S)-2-(benzenesulfonyl)-6-methyloxane?
The InChIKey is AFIIKHQFAIXQJB-NUHJPDEHSA-N. The full InChI is InChI=1S/C12H16O3S/c1-10-6-5-9-12(15-10)16(13,14)11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3/t10-,12?/m0/s1.
What are the key properties of (6S)-2-(benzenesulfonyl)-6-methyloxane?
(6S)-2-(benzenesulfonyl)-6-methyloxane has a molecular weight of 240.32 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-(benzenesulfonyl)-6-methyloxane is sourced from PubChem (CID 14934397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).