(2R,3S)-6-(benzenesulfonyl)-2-[(2S)-butan-2-yl]-3-methyloxane

C16H24O3S — CID 14608964

IUPAC(2R,3S)-6-(benzenesulfonyl)-2-[(2S)-butan-2-yl]-3-methyloxane
SMILESCC[C@H](C)[C@H]1OC(S(=O)(=O)c2ccccc2)CC[C@@H]1C
InChIInChI=1S/C16H24O3S/c1-4-12(2)16-13(3)10-11-15(19-16)20(17,18)14-8-6-5-7-9-14/h5-9,12-13,15-16H,4,10-11H2,1-3H3/t12-,13-,15?,16+/m0/s1
InChIKeyPAWPWZLVVMYWKN-CMHZKVDGSA-N
MW296.43 g/mol
LogP3.65
Rot. Bonds4

About (2R,3S)-6-(benzenesulfonyl)-2-[(2S)-butan-2-yl]-3-methyloxane

(2R,3S)-6-(benzenesulfonyl)-2-[(2S)-butan-2-yl]-3-methyloxane (PubChem CID 14608964) has the molecular formula C16H24O3S and a molecular weight of 296.43 g/mol. Its IUPAC name is (2R,3S)-6-(benzenesulfonyl)-2-[(2S)-butan-2-yl]-3-methyloxane.

Molecular Properties

Compound Name(2R,3S)-6-(benzenesulfonyl)-2-[(2S)-butan-2-yl]-3-methyloxane
PubChem CID14608964
Molecular FormulaC16H24O3S
Molecular Weight296.43 g/mol
Exact Mass296.14
IUPAC Name(2R,3S)-6-(benzenesulfonyl)-2-[(2S)-butan-2-yl]-3-methyloxane
SMILESCC[C@H](C)[C@H]1OC(S(=O)(=O)c2ccccc2)CC[C@@H]1C
InChIInChI=1S/C16H24O3S/c1-4-12(2)16-13(3)10-11-15(19-16)20(17,18)14-8-6-5-7-9-14/h5-9,12-13,15-16H,4,10-11H2,1-3H3/t12-,13-,15?,16+/m0/s1
InChIKeyPAWPWZLVVMYWKN-CMHZKVDGSA-N
XLogP3.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.43
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R,3S)-6-(benzenesulfonyl)-2-[(2S)-butan-2-yl]-3-methyloxane with MolForge

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Related Compounds

(4R)-4-(benzenesulfonylmethyl)-4,8-dimethyl-2,3-dioxabicyclo[3.3.1]non-7-ene
CID 44318973
(4R)-4-(benzenesulfonylmethyl)-4,8-dimethyl-2,3-dioxabicyclo[3.3.1]nonane
CID 44318772
(4S)-4-(benzenesulfonylmethyl)-4,8-dimethyl-2,3-dioxabicyclo[3.3.1]nonane
CID 44318986
(4R)-4-(benzenesulfonylmethyl)-4-methyl-8-methylidene-2,3-dioxabicyclo[3.3.1]nonane
CID 44318984
Sulfonium, dimethyl((tetrahydro-2H-pyran-2-yl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1)
CID 3062276
Sulfonium, dimethyl(2-(tetrahydro-2H-pyran-2-yl)ethyl)-, salt with 4-methylbenzenesulfonic acid (1:1)
CID 3062278
2-Octoxyethylsulfonylbenzene
CID 44377556
1-Methyl-2-(2-propan-2-yloxyethylsulfonyl)benzene
CID 71981822
1-(Benzenesulfinyl)-2-oxaspiro[2.5]octane
CID 298574
(1R)-2-(benzenesulfonyl)-1-cyclohexylethanol
CID 12958388
1-[2-(Cyclohexen-1-ylmethoxy)-3-methylbut-2-enyl]sulfonyl-4-methylbenzene
CID 13842671
(2R,3S)-6-(benzenesulfonyl)-2,3-dimethyloxane
CID 14446823

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-6-(benzenesulfonyl)-2-[(2S)-butan-2-yl]-3-methyloxane?
The IUPAC name of (2R,3S)-6-(benzenesulfonyl)-2-[(2S)-butan-2-yl]-3-methyloxane (CID 14608964) is (2R,3S)-6-(benzenesulfonyl)-2-[(2S)-butan-2-yl]-3-methyloxane.
What is the SMILES notation for (2R,3S)-6-(benzenesulfonyl)-2-[(2S)-butan-2-yl]-3-methyloxane?
The canonical SMILES for (2R,3S)-6-(benzenesulfonyl)-2-[(2S)-butan-2-yl]-3-methyloxane is CC[C@H](C)[C@H]1OC(S(=O)(=O)c2ccccc2)CC[C@@H]1C.
What is the InChIKey of (2R,3S)-6-(benzenesulfonyl)-2-[(2S)-butan-2-yl]-3-methyloxane?
The InChIKey is PAWPWZLVVMYWKN-CMHZKVDGSA-N. The full InChI is InChI=1S/C16H24O3S/c1-4-12(2)16-13(3)10-11-15(19-16)20(17,18)14-8-6-5-7-9-14/h5-9,12-13,15-16H,4,10-11H2,1-3H3/t12-,13-,15?,16+/m0/s1.
What are the key properties of (2R,3S)-6-(benzenesulfonyl)-2-[(2S)-butan-2-yl]-3-methyloxane?
(2R,3S)-6-(benzenesulfonyl)-2-[(2S)-butan-2-yl]-3-methyloxane has a molecular weight of 296.43 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-6-(benzenesulfonyl)-2-[(2S)-butan-2-yl]-3-methyloxane is sourced from PubChem (CID 14608964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).