(2S,6S)-2-(benzenesulfonyl)-6-butyloxane

C15H22O3S — CID 134882688

IUPAC(2S,6S)-2-(benzenesulfonyl)-6-butyloxane
SMILESCCCC[C@H]1CCC[C@H](S(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C15H22O3S/c1-2-3-8-13-9-7-12-15(18-13)19(16,17)14-10-5-4-6-11-14/h4-6,10-11,13,15H,2-3,7-9,12H2,1H3/t13-,15-/m0/s1
InChIKeyFGTOEGLIRPXUJF-ZFWWWQNUSA-N
MW282.40 g/mol
LogP3.55
Rot. Bonds5

About (2S,6S)-2-(benzenesulfonyl)-6-butyloxane

(2S,6S)-2-(benzenesulfonyl)-6-butyloxane (PubChem CID 134882688) has the molecular formula C15H22O3S and a molecular weight of 282.40 g/mol. Its IUPAC name is (2S,6S)-2-(benzenesulfonyl)-6-butyloxane.

Molecular Properties

Compound Name(2S,6S)-2-(benzenesulfonyl)-6-butyloxane
PubChem CID134882688
Molecular FormulaC15H22O3S
Molecular Weight282.40 g/mol
Exact Mass282.13
IUPAC Name(2S,6S)-2-(benzenesulfonyl)-6-butyloxane
SMILESCCCC[C@H]1CCC[C@H](S(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C15H22O3S/c1-2-3-8-13-9-7-12-15(18-13)19(16,17)14-10-5-4-6-11-14/h4-6,10-11,13,15H,2-3,7-9,12H2,1H3/t13-,15-/m0/s1
InChIKeyFGTOEGLIRPXUJF-ZFWWWQNUSA-N
XLogP3.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-(Phenylsulfonyl)ethyl)oxirane
CID 11356304
2-Ethoxyethylsulfonylbenzene
CID 44377531
2-(Benzenesulfonyl)-3-propyloxirane
CID 14532897
2-Octoxyethylsulfonylbenzene
CID 44377556
2-[2-(Benzenesulfonyl)-2-fluoroethyl]-1,4-dioxane
CID 14593287
(+-)-endo-7-Ethyl-5-methyl-3-(phenylsulfonyl)-6,8-dioxa-bicyclo[3.2.1]octan
CID 366363
2-[2-(Benzenesulfonyl)-1,1-difluoropropyl]-1,4-dioxane
CID 10542679
2-[2-(Benzenesulfonyl)-1,1-difluoropentyl]-1,4-dioxane
CID 10688148
6-(Benzenesulfonylmethyl)-6-methyl-3,3-dipentyl-1,2,4-trioxane
CID 71597311
2-[(Phenylsulfanyl)methyl]oxane
CID 13757446
(4-Ethoxycyclohexen-1-yl)sulfonylbenzene
CID 13897760
(2R,3S)-6-(benzenesulfonyl)-2,3-dimethyloxane
CID 14446823

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-(benzenesulfonyl)-6-butyloxane?
The IUPAC name of (2S,6S)-2-(benzenesulfonyl)-6-butyloxane (CID 134882688) is (2S,6S)-2-(benzenesulfonyl)-6-butyloxane.
What is the SMILES notation for (2S,6S)-2-(benzenesulfonyl)-6-butyloxane?
The canonical SMILES for (2S,6S)-2-(benzenesulfonyl)-6-butyloxane is CCCC[C@H]1CCC[C@H](S(=O)(=O)c2ccccc2)O1.
What is the InChIKey of (2S,6S)-2-(benzenesulfonyl)-6-butyloxane?
The InChIKey is FGTOEGLIRPXUJF-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H22O3S/c1-2-3-8-13-9-7-12-15(18-13)19(16,17)14-10-5-4-6-11-14/h4-6,10-11,13,15H,2-3,7-9,12H2,1H3/t13-,15-/m0/s1.
What are the key properties of (2S,6S)-2-(benzenesulfonyl)-6-butyloxane?
(2S,6S)-2-(benzenesulfonyl)-6-butyloxane has a molecular weight of 282.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-(benzenesulfonyl)-6-butyloxane is sourced from PubChem (CID 134882688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).