N-[2-(difluoromethylsulfanyl)phenyl]-6-oxopiperidine-3-carboxamide

C13H14F2N2O2S — CID 112729117

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccccc2SC(F)F)CN1
InChIInChI=1S/C13H14F2N2O2S/c14-13(15)20-10-4-2-1-3-9(10)17-12(19)8-5-6-11(18)16-7-8/h1-4,8,13H,5-7H2,(H,16,18)(H,17,19)
InChIKeyGVNASGPRRPKXNL-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.47
Rot. Bonds4

About N-[2-(difluoromethylsulfanyl)phenyl]-6-oxopiperidine-3-carboxamide

N-[2-(difluoromethylsulfanyl)phenyl]-6-oxopiperidine-3-carboxamide (PubChem CID 112729117) has the molecular formula C13H14F2N2O2S and a molecular weight of 300.33 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-6-oxopiperidine-3-carboxamide
PubChem CID112729117
Molecular FormulaC13H14F2N2O2S
Molecular Weight300.33 g/mol
Exact Mass300.07
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccccc2SC(F)F)CN1
InChIInChI=1S/C13H14F2N2O2S/c14-13(15)20-10-4-2-1-3-9(10)17-12(19)8-5-6-11(18)16-7-8/h1-4,8,13H,5-7H2,(H,16,18)(H,17,19)
InChIKeyGVNASGPRRPKXNL-UHFFFAOYSA-N
XLogP2.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(difluoromethylsulfanyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107433437
N-(2-iodophenyl)-6-oxopiperidine-3-carboxamide
CID 78281148
N-(2-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 76871965
N-(2-nitrophenyl)-6-oxopiperidine-3-carboxamide
CID 76872950
(3R)-N-[2-(2,4-difluoroanilino)phenyl]-6-oxopiperidine-3-carboxamide
CID 97341230
3-[2-[(6-oxopiperidine-3-carbonyl)amino]phenyl]propanoic acid
CID 107272548
N-[2-(difluoromethylsulfanyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 134000047
ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]benzoate
CID 112729067
N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 119798016
N-[2-(difluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 24711846
2-amino-N-[2-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide
CID 64817568
6-oxo-N-[4-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide
CID 76871986

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-6-oxopiperidine-3-carboxamide (CID 112729117) is N-[2-(difluoromethylsulfanyl)phenyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-6-oxopiperidine-3-carboxamide is O=C1CCC(C(=O)Nc2ccccc2SC(F)F)CN1.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is GVNASGPRRPKXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2S/c14-13(15)20-10-4-2-1-3-9(10)17-12(19)8-5-6-11(18)16-7-8/h1-4,8,13H,5-7H2,(H,16,18)(H,17,19).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-6-oxopiperidine-3-carboxamide?
N-[2-(difluoromethylsulfanyl)phenyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 300.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 112729117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).