(2R)-2-(naphthalen-2-ylsulfonylmethyl)oxolane

C15H16O3S — CID 94149671

IUPAC(2R)-2-(naphthalen-2-ylsulfonylmethyl)oxolane
SMILESO=S(=O)(C[C@H]1CCCO1)c1ccc2ccccc2c1
InChIInChI=1S/C15H16O3S/c16-19(17,11-14-6-3-9-18-14)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10,14H,3,6,9,11H2/t14-/m1/s1
InChIKeyCTKGVXRHKPTEEN-CQSZACIVSA-N
MW276.36 g/mol
LogP2.79
Rot. Bonds3

About (2R)-2-(naphthalen-2-ylsulfonylmethyl)oxolane

(2R)-2-(naphthalen-2-ylsulfonylmethyl)oxolane (PubChem CID 94149671) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is (2R)-2-(naphthalen-2-ylsulfonylmethyl)oxolane.

Molecular Properties

Compound Name(2R)-2-(naphthalen-2-ylsulfonylmethyl)oxolane
PubChem CID94149671
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name(2R)-2-(naphthalen-2-ylsulfonylmethyl)oxolane
SMILESO=S(=O)(C[C@H]1CCCO1)c1ccc2ccccc2c1
InChIInChI=1S/C15H16O3S/c16-19(17,11-14-6-3-9-18-14)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10,14H,3,6,9,11H2/t14-/m1/s1
InChIKeyCTKGVXRHKPTEEN-CQSZACIVSA-N
XLogP2.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)sulfonylmethyl]oxolane
CID 15474559
2-[(3,4-dimethylphenyl)sulfonylmethyl]oxane
CID 71979163
2-[(3-bromo-4-methylphenyl)sulfonylmethyl]oxane
CID 145425719
(2R)-N-naphthalen-2-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269930
2-[4-(oxolan-2-ylmethylsulfonyl)phenyl]acetic acid
CID 43440399
2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 8692224
2-naphthalen-2-yloxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 17105928
3-(2-naphthalen-2-ylsulfonylacetyl)oxolan-2-one
CID 17308999
2-bromo-N-naphthalen-2-yl-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 25362129
4-ethenyl-6-(oxolan-2-ylmethylsulfonyl)quinoline
CID 118351993
2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 874788
2-[4-(oxan-2-ylmethylsulfonyl)phenyl]acetic acid
CID 43592044

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(naphthalen-2-ylsulfonylmethyl)oxolane?
The IUPAC name of (2R)-2-(naphthalen-2-ylsulfonylmethyl)oxolane (CID 94149671) is (2R)-2-(naphthalen-2-ylsulfonylmethyl)oxolane.
What is the SMILES notation for (2R)-2-(naphthalen-2-ylsulfonylmethyl)oxolane?
The canonical SMILES for (2R)-2-(naphthalen-2-ylsulfonylmethyl)oxolane is O=S(=O)(C[C@H]1CCCO1)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-2-(naphthalen-2-ylsulfonylmethyl)oxolane?
The InChIKey is CTKGVXRHKPTEEN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16O3S/c16-19(17,11-14-6-3-9-18-14)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10,14H,3,6,9,11H2/t14-/m1/s1.
What are the key properties of (2R)-2-(naphthalen-2-ylsulfonylmethyl)oxolane?
(2R)-2-(naphthalen-2-ylsulfonylmethyl)oxolane has a molecular weight of 276.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(naphthalen-2-ylsulfonylmethyl)oxolane is sourced from PubChem (CID 94149671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).