6-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-pyran

C13H16O3S — CID 11043241

IUPAC6-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-pyran
SMILESCc1ccc(S(=O)(=O)CC2=CCCCO2)cc1
InChIInChI=1S/C13H16O3S/c1-11-5-7-13(8-6-11)17(14,15)10-12-4-2-3-9-16-12/h4-8H,2-3,9-10H2,1H3
InChIKeySXLFFERYZRYUTO-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.46
Rot. Bonds3

About 6-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-pyran

6-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-pyran (PubChem CID 11043241) has the molecular formula C13H16O3S and a molecular weight of 252.33 g/mol. Its IUPAC name is 6-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-pyran
PubChem CID11043241
Molecular FormulaC13H16O3S
Molecular Weight252.33 g/mol
Exact Mass252.08
IUPAC Name6-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-pyran
SMILESCc1ccc(S(=O)(=O)CC2=CCCCO2)cc1
InChIInChI=1S/C13H16O3S/c1-11-5-7-13(8-6-11)17(14,15)10-12-4-2-3-9-16-12/h4-8H,2-3,9-10H2,1H3
InChIKeySXLFFERYZRYUTO-UHFFFAOYSA-N
XLogP2.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Sulfone, allyl p-tolyl
CID 96276
1-(Ethylsulfonyl)-4-methylbenzene
CID 97651
P-Tolyl vinyl sulfone
CID 79665
(p-Tolylsulphonyl)acetone
CID 79327
Ethanol, 2-[(4-methylphenyl)sulfonyl]-
CID 89682
Acetic acid, thio-, S,S'-(2-hydroxytrimethylene) ester, p-toluenesulfonate
CID 55328
2-Methyl-2-propenyl p-tolyl sulphone
CID 140043
1-Methyl-4-[(1-vinyl-3-butenyl)sulfonyl]benzene
CID 5006204
O-ethyl 2-(4-phenylphenyl)sulfonylethanethioate
CID 25215941
1-methyl-4-[(E)-2-[4-methyl-1-(4-methylphenyl)sulfonylpent-1-yn-3-yl]oxyethenyl]sulfonylbenzene
CID 46887408
Tert-butyl 4-methylphenyl sulfone
CID 220264
2-(3-Methylphenyl)sulfonyloxirane
CID 71659903

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-pyran?
The IUPAC name of 6-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-pyran (CID 11043241) is 6-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-pyran is Cc1ccc(S(=O)(=O)CC2=CCCCO2)cc1.
What is the InChIKey of 6-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-pyran?
The InChIKey is SXLFFERYZRYUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3S/c1-11-5-7-13(8-6-11)17(14,15)10-12-4-2-3-9-16-12/h4-8H,2-3,9-10H2,1H3.
What are the key properties of 6-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-pyran?
6-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-pyran has a molecular weight of 252.33 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 11043241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).