2-(3-phenylpropylsulfonylmethyl)oxane

C15H22O3S — CID 78850846

IUPAC2-(3-phenylpropylsulfonylmethyl)oxane
SMILESO=S(=O)(CCCc1ccccc1)CC1CCCCO1
InChIInChI=1S/C15H22O3S/c16-19(17,13-15-10-4-5-11-18-15)12-6-9-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2
InChIKeyVOXCUQUWACDNLE-UHFFFAOYSA-N
MW282.40 g/mol
LogP2.60
Rot. Bonds6

About 2-(3-phenylpropylsulfonylmethyl)oxane

2-(3-phenylpropylsulfonylmethyl)oxane (PubChem CID 78850846) has the molecular formula C15H22O3S and a molecular weight of 282.40 g/mol. Its IUPAC name is 2-(3-phenylpropylsulfonylmethyl)oxane.

Molecular Properties

Compound Name2-(3-phenylpropylsulfonylmethyl)oxane
PubChem CID78850846
Molecular FormulaC15H22O3S
Molecular Weight282.40 g/mol
Exact Mass282.13
IUPAC Name2-(3-phenylpropylsulfonylmethyl)oxane
SMILESO=S(=O)(CCCc1ccccc1)CC1CCCCO1
InChIInChI=1S/C15H22O3S/c16-19(17,13-15-10-4-5-11-18-15)12-6-9-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2
InChIKeyVOXCUQUWACDNLE-UHFFFAOYSA-N
XLogP2.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[3-(2-bromophenyl)propylsulfonylmethyl]oxolane
CID 99820888
4-[2-(oxolan-2-ylmethylsulfonyl)ethyl]aniline
CID 106494893
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone
CID 55689796
2-(oxan-2-ylmethylsulfonyl)ethanol
CID 71857024
2-benzyloxepane
CID 14272917
2-methyl-1-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111828616
N-benzyl-N-(2-hydroxy-2-methylpropyl)-1-[(2R)-oxan-2-yl]methanesulfonamide
CID 124615175
2-[2-(oxolan-2-ylmethylsulfonyl)ethoxy]aniline
CID 106494924
2-[(2-fluorophenyl)sulfonylmethyl]oxane
CID 64716675
4-(4-phenylbutylsulfonyl)butylbenzene
CID 70468291
N-(1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-(3-phenylpropylsulfonyl)acetamide
CID 55687899
2-[4-(oxan-2-ylmethylsulfonyl)phenyl]acetic acid
CID 43592044

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropylsulfonylmethyl)oxane?
The IUPAC name of 2-(3-phenylpropylsulfonylmethyl)oxane (CID 78850846) is 2-(3-phenylpropylsulfonylmethyl)oxane.
What is the SMILES notation for 2-(3-phenylpropylsulfonylmethyl)oxane?
The canonical SMILES for 2-(3-phenylpropylsulfonylmethyl)oxane is O=S(=O)(CCCc1ccccc1)CC1CCCCO1.
What is the InChIKey of 2-(3-phenylpropylsulfonylmethyl)oxane?
The InChIKey is VOXCUQUWACDNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3S/c16-19(17,13-15-10-4-5-11-18-15)12-6-9-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2.
What are the key properties of 2-(3-phenylpropylsulfonylmethyl)oxane?
2-(3-phenylpropylsulfonylmethyl)oxane has a molecular weight of 282.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropylsulfonylmethyl)oxane is sourced from PubChem (CID 78850846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).