2-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfanylpiperidine-1-carboxamide

C16H23FN2OS — CID 69462331

IUPAC2-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfanylpiperidine-1-carboxamide
SMILESCc1cc(F)ccc1C1CC(SC(C)C)CCN1C(N)=O
InChIInChI=1S/C16H23FN2OS/c1-10(2)21-13-6-7-19(16(18)20)15(9-13)14-5-4-12(17)8-11(14)3/h4-5,8,10,13,15H,6-7,9H2,1-3H3,(H2,18,20)
InChIKeyCDAUUVRQAMKYCG-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.86
Rot. Bonds3

About 2-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfanylpiperidine-1-carboxamide

2-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfanylpiperidine-1-carboxamide (PubChem CID 69462331) has the molecular formula C16H23FN2OS and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfanylpiperidine-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfanylpiperidine-1-carboxamide
PubChem CID69462331
Molecular FormulaC16H23FN2OS
Molecular Weight310.44 g/mol
Exact Mass310.15
IUPAC Name2-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfanylpiperidine-1-carboxamide
SMILESCc1cc(F)ccc1C1CC(SC(C)C)CCN1C(N)=O
InChIInChI=1S/C16H23FN2OS/c1-10(2)21-13-6-7-19(16(18)20)15(9-13)14-5-4-12(17)8-11(14)3/h4-5,8,10,13,15H,6-7,9H2,1-3H3,(H2,18,20)
InChIKeyCDAUUVRQAMKYCG-UHFFFAOYSA-N
XLogP3.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-((dimethylamino)methyl)-N-(4-fluorobenzyl)-1,4-thiazepane-4-carboxamide
CID 71801753
N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 71855554
N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]morpholine-4-carboxamide
CID 71855699
N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 71971902
N-(p-fluorophenyl)methyl-(S)-7-phenyl-1,4-thiazepane-4-carboxamide
CID 99903870
N-benzhydryl-4-(2-((ethylthio)methyl)pyrrolidin-1-yl)piperidine-1-carboxamide
CID 76148997
N-benzhydryl-(S)-3-(methylthio)-1-pyrrolidinecarboxamide
CID 99873472
5,8-difluoro-N-[2-(2-hydroxy-2-methylpropyl)sulfanylethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71859200
N-(1-ethylsulfonylpropan-2-yl)-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71859203
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]thiomorpholine-4-carboxamide
CID 71862958
N-[2-(ethylsulfonyl)ethyl]-2-(4-fluorophenyl)piperidine-1-carboxamide
CID 124205419
N-[(1S)-1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 124618033

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfanylpiperidine-1-carboxamide?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfanylpiperidine-1-carboxamide (CID 69462331) is 2-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfanylpiperidine-1-carboxamide.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfanylpiperidine-1-carboxamide?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfanylpiperidine-1-carboxamide is Cc1cc(F)ccc1C1CC(SC(C)C)CCN1C(N)=O.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfanylpiperidine-1-carboxamide?
The InChIKey is CDAUUVRQAMKYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2OS/c1-10(2)21-13-6-7-19(16(18)20)15(9-13)14-5-4-12(17)8-11(14)3/h4-5,8,10,13,15H,6-7,9H2,1-3H3,(H2,18,20).
What are the key properties of 2-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfanylpiperidine-1-carboxamide?
2-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfanylpiperidine-1-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfanylpiperidine-1-carboxamide is sourced from PubChem (CID 69462331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).