1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(3S)-oxolan-3-yl]sulfonylethanone

C15H19NO4S — CID 164642933

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(3S)-oxolan-3-yl]sulfonylethanone
SMILESO=C(CS(=O)(=O)[C@H]1CCOC1)N1CCCc2ccccc21
InChIInChI=1S/C15H19NO4S/c17-15(11-21(18,19)13-7-9-20-10-13)16-8-3-5-12-4-1-2-6-14(12)16/h1-2,4,6,13H,3,5,7-11H2/t13-/m0/s1
InChIKeyJNAOWSALZGBMFT-ZDUSSCGKSA-N
MW309.39 g/mol
LogP1.17
Rot. Bonds3

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(3S)-oxolan-3-yl]sulfonylethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(3S)-oxolan-3-yl]sulfonylethanone (PubChem CID 164642933) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(3S)-oxolan-3-yl]sulfonylethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(3S)-oxolan-3-yl]sulfonylethanone
PubChem CID164642933
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(3S)-oxolan-3-yl]sulfonylethanone
SMILESO=C(CS(=O)(=O)[C@H]1CCOC1)N1CCCc2ccccc21
InChIInChI=1S/C15H19NO4S/c17-15(11-21(18,19)13-7-9-20-10-13)16-8-3-5-12-4-1-2-6-14(12)16/h1-2,4,6,13H,3,5,7-11H2/t13-/m0/s1
InChIKeyJNAOWSALZGBMFT-ZDUSSCGKSA-N
XLogP1.17
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(3S)-oxolan-3-yl]sulfonylethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(3S)-oxolan-3-yl]sulfonylethanone (CID 164642933) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(3S)-oxolan-3-yl]sulfonylethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(3S)-oxolan-3-yl]sulfonylethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(3S)-oxolan-3-yl]sulfonylethanone is O=C(CS(=O)(=O)[C@H]1CCOC1)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(3S)-oxolan-3-yl]sulfonylethanone?
The InChIKey is JNAOWSALZGBMFT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19NO4S/c17-15(11-21(18,19)13-7-9-20-10-13)16-8-3-5-12-4-1-2-6-14(12)16/h1-2,4,6,13H,3,5,7-11H2/t13-/m0/s1.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(3S)-oxolan-3-yl]sulfonylethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(3S)-oxolan-3-yl]sulfonylethanone has a molecular weight of 309.39 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(3S)-oxolan-3-yl]sulfonylethanone is sourced from PubChem (CID 164642933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).