2-[(2S)-3-(benzenesulfonyl)-2-methylpropoxy]oxane

C15H22O4S — CID 11044733

IUPAC2-[(2S)-3-(benzenesulfonyl)-2-methylpropoxy]oxane
SMILESC[C@@H](COC1CCCCO1)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H22O4S/c1-13(11-19-15-9-5-6-10-18-15)12-20(16,17)14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12H2,1H3/t13-,15?/m0/s1
InChIKeyFGIGULUSWYWECF-CFMCSPIPSA-N
MW298.40 g/mol
LogP2.64
Rot. Bonds6

About 2-[(2S)-3-(benzenesulfonyl)-2-methylpropoxy]oxane

2-[(2S)-3-(benzenesulfonyl)-2-methylpropoxy]oxane (PubChem CID 11044733) has the molecular formula C15H22O4S and a molecular weight of 298.40 g/mol. Its IUPAC name is 2-[(2S)-3-(benzenesulfonyl)-2-methylpropoxy]oxane.

Molecular Properties

Compound Name2-[(2S)-3-(benzenesulfonyl)-2-methylpropoxy]oxane
PubChem CID11044733
Molecular FormulaC15H22O4S
Molecular Weight298.40 g/mol
Exact Mass298.12
IUPAC Name2-[(2S)-3-(benzenesulfonyl)-2-methylpropoxy]oxane
SMILESC[C@@H](COC1CCCCO1)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H22O4S/c1-13(11-19-15-9-5-6-10-18-15)12-20(16,17)14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12H2,1H3/t13-,15?/m0/s1
InChIKeyFGIGULUSWYWECF-CFMCSPIPSA-N
XLogP2.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S,4S,5S,6S)-2-(benzenesulfonylmethyl)-6-methoxyoxane-3,4,5-triol
CID 127028585
Benzene, ((2,2-dimethoxyethyl)sulfonyl)-
CID 554535
[(3,3,3-Trimethoxypropyl)sulfonyl]benzene
CID 10901794
2-[3-(Benzenesulfonyl)propyl]-1,3-dioxolane
CID 11118676
2-[(2E,6E)-3,7-dimethyl-8-phenylsulfanyl-octa-2,6-dienoxy]tetrahydropyran
CID 12116733
[(E)-2-[(1S,2R)-2-(methoxymethoxy)cyclopropyl]ethenyl]sulfonylbenzene
CID 11369195
5-(benzenesulfonyl)-2-ethoxy-6-methyl-3,4-dihydro-2H-pyran
CID 14913023
5-(benzenesulfonyl)-6-methyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran
CID 72741045
2-(Benzenesulfonyl)oxane
CID 3707989
(1-Fluoro-2,2-dimethoxyethyl)sulfonylbenzene
CID 14929164
2-[3-(Benzenesulfonylmethyl)-4,4,4-trifluoro-2-methylbutan-2-yl]oxyoxane
CID 13988922
2-(1-Phenylthiolan-1-ium-3-yl)oxyoxane;trifluoromethanesulfonate
CID 18350153

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-(benzenesulfonyl)-2-methylpropoxy]oxane?
The IUPAC name of 2-[(2S)-3-(benzenesulfonyl)-2-methylpropoxy]oxane (CID 11044733) is 2-[(2S)-3-(benzenesulfonyl)-2-methylpropoxy]oxane.
What is the SMILES notation for 2-[(2S)-3-(benzenesulfonyl)-2-methylpropoxy]oxane?
The canonical SMILES for 2-[(2S)-3-(benzenesulfonyl)-2-methylpropoxy]oxane is C[C@@H](COC1CCCCO1)CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[(2S)-3-(benzenesulfonyl)-2-methylpropoxy]oxane?
The InChIKey is FGIGULUSWYWECF-CFMCSPIPSA-N. The full InChI is InChI=1S/C15H22O4S/c1-13(11-19-15-9-5-6-10-18-15)12-20(16,17)14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12H2,1H3/t13-,15?/m0/s1.
What are the key properties of 2-[(2S)-3-(benzenesulfonyl)-2-methylpropoxy]oxane?
2-[(2S)-3-(benzenesulfonyl)-2-methylpropoxy]oxane has a molecular weight of 298.40 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-(benzenesulfonyl)-2-methylpropoxy]oxane is sourced from PubChem (CID 11044733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).