(2-methylsulfonylphenyl)-[4-[(3R)-oxolan-3-yl]piperidin-1-yl]methanone

C17H23NO4S — CID 164631340

IUPAC(2-methylsulfonylphenyl)-[4-[(3R)-oxolan-3-yl]piperidin-1-yl]methanone
SMILESCS(=O)(=O)c1ccccc1C(=O)N1CCC([C@H]2CCOC2)CC1
InChIInChI=1S/C17H23NO4S/c1-23(20,21)16-5-3-2-4-15(16)17(19)18-9-6-13(7-10-18)14-8-11-22-12-14/h2-5,13-14H,6-12H2,1H3/t14-/m0/s1
InChIKeyLECHNNQMPMVPNY-AWEZNQCLSA-N
MW337.44 g/mol
LogP1.98
Rot. Bonds3

About (2-methylsulfonylphenyl)-[4-[(3R)-oxolan-3-yl]piperidin-1-yl]methanone

(2-methylsulfonylphenyl)-[4-[(3R)-oxolan-3-yl]piperidin-1-yl]methanone (PubChem CID 164631340) has the molecular formula C17H23NO4S and a molecular weight of 337.44 g/mol. Its IUPAC name is (2-methylsulfonylphenyl)-[4-[(3R)-oxolan-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylsulfonylphenyl)-[4-[(3R)-oxolan-3-yl]piperidin-1-yl]methanone
PubChem CID164631340
Molecular FormulaC17H23NO4S
Molecular Weight337.44 g/mol
Exact Mass337.13
IUPAC Name(2-methylsulfonylphenyl)-[4-[(3R)-oxolan-3-yl]piperidin-1-yl]methanone
SMILESCS(=O)(=O)c1ccccc1C(=O)N1CCC([C@H]2CCOC2)CC1
InChIInChI=1S/C17H23NO4S/c1-23(20,21)16-5-3-2-4-15(16)17(19)18-9-6-13(7-10-18)14-8-11-22-12-14/h2-5,13-14H,6-12H2,1H3/t14-/m0/s1
InChIKeyLECHNNQMPMVPNY-AWEZNQCLSA-N
XLogP1.98
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylsulfonylphenyl)-[4-[(3R)-oxolan-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-methylsulfonylphenyl)-[4-[(3R)-oxolan-3-yl]piperidin-1-yl]methanone (CID 164631340) is (2-methylsulfonylphenyl)-[4-[(3R)-oxolan-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylsulfonylphenyl)-[4-[(3R)-oxolan-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-methylsulfonylphenyl)-[4-[(3R)-oxolan-3-yl]piperidin-1-yl]methanone is CS(=O)(=O)c1ccccc1C(=O)N1CCC([C@H]2CCOC2)CC1.
What is the InChIKey of (2-methylsulfonylphenyl)-[4-[(3R)-oxolan-3-yl]piperidin-1-yl]methanone?
The InChIKey is LECHNNQMPMVPNY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23NO4S/c1-23(20,21)16-5-3-2-4-15(16)17(19)18-9-6-13(7-10-18)14-8-11-22-12-14/h2-5,13-14H,6-12H2,1H3/t14-/m0/s1.
What are the key properties of (2-methylsulfonylphenyl)-[4-[(3R)-oxolan-3-yl]piperidin-1-yl]methanone?
(2-methylsulfonylphenyl)-[4-[(3R)-oxolan-3-yl]piperidin-1-yl]methanone has a molecular weight of 337.44 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfonylphenyl)-[4-[(3R)-oxolan-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 164631340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).