N-(4-bromo-3-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide

C13H16BrFN2OS — CID 114627698

IUPACN-(4-bromo-3-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide
SMILESO=C(CSC1CCNCC1)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C13H16BrFN2OS/c14-11-2-1-9(7-12(11)15)17-13(18)8-19-10-3-5-16-6-4-10/h1-2,7,10,16H,3-6,8H2,(H,17,18)
InChIKeyHUDWGDQXSOQBGA-UHFFFAOYSA-N
MW347.25 g/mol
LogP3.01
Rot. Bonds4

About N-(4-bromo-3-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide

N-(4-bromo-3-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114627698) has the molecular formula C13H16BrFN2OS and a molecular weight of 347.25 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide
PubChem CID114627698
Molecular FormulaC13H16BrFN2OS
Molecular Weight347.25 g/mol
Exact Mass346.02
IUPAC NameN-(4-bromo-3-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide
SMILESO=C(CSC1CCNCC1)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C13H16BrFN2OS/c14-11-2-1-9(7-12(11)15)17-13(18)8-19-10-3-5-16-6-4-10/h1-2,7,10,16H,3-6,8H2,(H,17,18)
InChIKeyHUDWGDQXSOQBGA-UHFFFAOYSA-N
XLogP3.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626426
N-(4-ethylphenyl)-2-piperidin-4-ylsulfanylacetamide
CID 82181207
N-(1,3-benzothiazol-6-yl)-2-piperidin-4-ylsulfanylacetamide
CID 107805145
N-(2-chloro-4,6-difluorophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627970
N-(5-bromo-6-methyl-2-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627759
N-(2,3-dihydro-1-benzofuran-5-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626838
N-(5-bromo-4-methyl-2-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627796
N-(6-chloro-3-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627925
N-(4-bromo-2,6-dichlorophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114626544
N-(4-bromo-3-fluorophenyl)-2-(thian-4-yl)acetamide
CID 80709494
2-cyclohexylsulfanyl-N-(4-fluorophenyl)acetamide
CID 734043
N-(2-chloro-6-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628124

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide (CID 114627698) is N-(4-bromo-3-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide is O=C(CSC1CCNCC1)Nc1ccc(Br)c(F)c1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is HUDWGDQXSOQBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2OS/c14-11-2-1-9(7-12(11)15)17-13(18)8-19-10-3-5-16-6-4-10/h1-2,7,10,16H,3-6,8H2,(H,17,18).
What are the key properties of N-(4-bromo-3-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide?
N-(4-bromo-3-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 347.25 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114627698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).