[2-(difluoromethylsulfanyl)phenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

C15H19F2NO2S — CID 62358280

IUPAC[2-(difluoromethylsulfanyl)phenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1SC(F)F)N1CCCC(CCO)C1
InChIInChI=1S/C15H19F2NO2S/c16-15(17)21-13-6-2-1-5-12(13)14(20)18-8-3-4-11(10-18)7-9-19/h1-2,5-6,11,15,19H,3-4,7-10H2
InChIKeySUMOTEOAIKKUMZ-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.24
Rot. Bonds5

About [2-(difluoromethylsulfanyl)phenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

[2-(difluoromethylsulfanyl)phenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 62358280) has the molecular formula C15H19F2NO2S and a molecular weight of 315.38 g/mol. Its IUPAC name is [2-(difluoromethylsulfanyl)phenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(difluoromethylsulfanyl)phenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID62358280
Molecular FormulaC15H19F2NO2S
Molecular Weight315.38 g/mol
Exact Mass315.11
IUPAC Name[2-(difluoromethylsulfanyl)phenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1SC(F)F)N1CCCC(CCO)C1
InChIInChI=1S/C15H19F2NO2S/c16-15(17)21-13-6-2-1-5-12(13)14(20)18-8-3-4-11(10-18)7-9-19/h1-2,5-6,11,15,19H,3-4,7-10H2
InChIKeySUMOTEOAIKKUMZ-UHFFFAOYSA-N
XLogP3.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethylsulfanyl)phenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(difluoromethylsulfanyl)phenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 62358280) is [2-(difluoromethylsulfanyl)phenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(difluoromethylsulfanyl)phenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(difluoromethylsulfanyl)phenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is O=C(c1ccccc1SC(F)F)N1CCCC(CCO)C1.
What is the InChIKey of [2-(difluoromethylsulfanyl)phenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is SUMOTEOAIKKUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2S/c16-15(17)21-13-6-2-1-5-12(13)14(20)18-8-3-4-11(10-18)7-9-19/h1-2,5-6,11,15,19H,3-4,7-10H2.
What are the key properties of [2-(difluoromethylsulfanyl)phenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
[2-(difluoromethylsulfanyl)phenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 315.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethylsulfanyl)phenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 62358280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).