6-[3-(benzenesulfonyl)propyl]-3,4-dihydro-2H-pyran

C14H18O3S — CID 14660265

IUPAC6-[3-(benzenesulfonyl)propyl]-3,4-dihydro-2H-pyran
SMILESO=S(=O)(CCCC1=CCCCO1)c1ccccc1
InChIInChI=1S/C14H18O3S/c15-18(16,14-9-2-1-3-10-14)12-6-8-13-7-4-5-11-17-13/h1-3,7,9-10H,4-6,8,11-12H2
InChIKeyFVYAMCPUBRBSEQ-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.93
Rot. Bonds5

About 6-[3-(benzenesulfonyl)propyl]-3,4-dihydro-2H-pyran

6-[3-(benzenesulfonyl)propyl]-3,4-dihydro-2H-pyran (PubChem CID 14660265) has the molecular formula C14H18O3S and a molecular weight of 266.36 g/mol. Its IUPAC name is 6-[3-(benzenesulfonyl)propyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-[3-(benzenesulfonyl)propyl]-3,4-dihydro-2H-pyran
PubChem CID14660265
Molecular FormulaC14H18O3S
Molecular Weight266.36 g/mol
Exact Mass266.10
IUPAC Name6-[3-(benzenesulfonyl)propyl]-3,4-dihydro-2H-pyran
SMILESO=S(=O)(CCCC1=CCCCO1)c1ccccc1
InChIInChI=1S/C14H18O3S/c15-18(16,14-9-2-1-3-10-14)12-6-8-13-7-4-5-11-17-13/h1-3,7,9-10H,4-6,8,11-12H2
InChIKeyFVYAMCPUBRBSEQ-UHFFFAOYSA-N
XLogP2.93
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-Ethoxyethylsulfonylbenzene
CID 44377531
2-Propanol, 1-(phenylsulfonyl)-, (S)-
CID 11127286
[3-(Benzenesulfonyl)-4-methylsulfonyloxybutyl] methanesulfonate
CID 282525
2-(Benzenesulfonyl)-3-propyloxirane
CID 14532897
2-Octoxyethylsulfonylbenzene
CID 44377556
2-[2-(Benzenesulfonyl)-2-fluoroethyl]-1,4-dioxane
CID 14593287
1-(Benzenesulfonyl)propan-2-ol
CID 547258
(2-Cyclohexen-1-ylsulfonyl)benzene
CID 4622731

Frequently Asked Questions

What is the IUPAC name of 6-[3-(benzenesulfonyl)propyl]-3,4-dihydro-2H-pyran?
The IUPAC name of 6-[3-(benzenesulfonyl)propyl]-3,4-dihydro-2H-pyran (CID 14660265) is 6-[3-(benzenesulfonyl)propyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-[3-(benzenesulfonyl)propyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-[3-(benzenesulfonyl)propyl]-3,4-dihydro-2H-pyran is O=S(=O)(CCCC1=CCCCO1)c1ccccc1.
What is the InChIKey of 6-[3-(benzenesulfonyl)propyl]-3,4-dihydro-2H-pyran?
The InChIKey is FVYAMCPUBRBSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3S/c15-18(16,14-9-2-1-3-10-14)12-6-8-13-7-4-5-11-17-13/h1-3,7,9-10H,4-6,8,11-12H2.
What are the key properties of 6-[3-(benzenesulfonyl)propyl]-3,4-dihydro-2H-pyran?
6-[3-(benzenesulfonyl)propyl]-3,4-dihydro-2H-pyran has a molecular weight of 266.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(benzenesulfonyl)propyl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 14660265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).