(2R,4R)-6-(benzenesulfonylmethyl)-4-methyl-2-propan-2-yloxy-3,4-dihydro-2H-pyran

C16H22O4S — CID 11109689

IUPAC(2R,4R)-6-(benzenesulfonylmethyl)-4-methyl-2-propan-2-yloxy-3,4-dihydro-2H-pyran
SMILESCC(C)O[C@H]1C[C@@H](C)C=C(CS(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C16H22O4S/c1-12(2)19-16-10-13(3)9-14(20-16)11-21(17,18)15-7-5-4-6-8-15/h4-9,12-13,16H,10-11H2,1-3H3/t13-,16+/m0/s1
InChIKeyAYXNCSSGIXMHRI-XJKSGUPXSA-N
MW310.41 g/mol
LogP3.15
Rot. Bonds5

About (2R,4R)-6-(benzenesulfonylmethyl)-4-methyl-2-propan-2-yloxy-3,4-dihydro-2H-pyran

(2R,4R)-6-(benzenesulfonylmethyl)-4-methyl-2-propan-2-yloxy-3,4-dihydro-2H-pyran (PubChem CID 11109689) has the molecular formula C16H22O4S and a molecular weight of 310.41 g/mol. Its IUPAC name is (2R,4R)-6-(benzenesulfonylmethyl)-4-methyl-2-propan-2-yloxy-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,4R)-6-(benzenesulfonylmethyl)-4-methyl-2-propan-2-yloxy-3,4-dihydro-2H-pyran
PubChem CID11109689
Molecular FormulaC16H22O4S
Molecular Weight310.41 g/mol
Exact Mass310.12
IUPAC Name(2R,4R)-6-(benzenesulfonylmethyl)-4-methyl-2-propan-2-yloxy-3,4-dihydro-2H-pyran
SMILESCC(C)O[C@H]1C[C@@H](C)C=C(CS(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C16H22O4S/c1-12(2)19-16-10-13(3)9-14(20-16)11-21(17,18)15-7-5-4-6-8-15/h4-9,12-13,16H,10-11H2,1-3H3/t13-,16+/m0/s1
InChIKeyAYXNCSSGIXMHRI-XJKSGUPXSA-N
XLogP3.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Benzene, ((2,2-dimethoxyethyl)sulfonyl)-
CID 554535
2-[3-(Benzenesulfonyl)propyl]-1,3-dioxolane
CID 11118676
[(E)-2-[(1S,2R)-2-(methoxymethoxy)cyclopropyl]ethenyl]sulfonylbenzene
CID 11369195
6-[3-(benzenesulfonyl)propyl]-3,4-dihydro-2H-pyran
CID 14660265
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-[3-(Benzenesulfonylmethyl)-4,4,4-trifluoro-2-methylbutan-2-yl]oxyoxane
CID 13988922
2-[2-(Benzenesulfonyl)-2-fluoroethyl]-5-butan-2-yloxy-1,4-dioxane
CID 151626620
3,3,3-Triethoxypropylsulfonylbenzene
CID 2733117
2H-Pyran, 2-[1,1-dimethyl-3-(phenylsulfonyl)propoxy]tetrahydro-
CID 11045209
2-[(3S)-4-(benzenesulfonyl)-2,3-dimethylbutan-2-yl]oxyoxolane
CID 13964866
(5S,6S)-2,2,4,4,6-pentamethyl-5-[(4-methylphenyl)sulfonylmethyl]-1,3-dioxane
CID 9973667

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-6-(benzenesulfonylmethyl)-4-methyl-2-propan-2-yloxy-3,4-dihydro-2H-pyran?
The IUPAC name of (2R,4R)-6-(benzenesulfonylmethyl)-4-methyl-2-propan-2-yloxy-3,4-dihydro-2H-pyran (CID 11109689) is (2R,4R)-6-(benzenesulfonylmethyl)-4-methyl-2-propan-2-yloxy-3,4-dihydro-2H-pyran.
What is the SMILES notation for (2R,4R)-6-(benzenesulfonylmethyl)-4-methyl-2-propan-2-yloxy-3,4-dihydro-2H-pyran?
The canonical SMILES for (2R,4R)-6-(benzenesulfonylmethyl)-4-methyl-2-propan-2-yloxy-3,4-dihydro-2H-pyran is CC(C)O[C@H]1C[C@@H](C)C=C(CS(=O)(=O)c2ccccc2)O1.
What is the InChIKey of (2R,4R)-6-(benzenesulfonylmethyl)-4-methyl-2-propan-2-yloxy-3,4-dihydro-2H-pyran?
The InChIKey is AYXNCSSGIXMHRI-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H22O4S/c1-12(2)19-16-10-13(3)9-14(20-16)11-21(17,18)15-7-5-4-6-8-15/h4-9,12-13,16H,10-11H2,1-3H3/t13-,16+/m0/s1.
What are the key properties of (2R,4R)-6-(benzenesulfonylmethyl)-4-methyl-2-propan-2-yloxy-3,4-dihydro-2H-pyran?
(2R,4R)-6-(benzenesulfonylmethyl)-4-methyl-2-propan-2-yloxy-3,4-dihydro-2H-pyran has a molecular weight of 310.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-6-(benzenesulfonylmethyl)-4-methyl-2-propan-2-yloxy-3,4-dihydro-2H-pyran is sourced from PubChem (CID 11109689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).