N-phenyl-2-piperidin-1-yl-2-sulfanylideneacetamide

C13H16N2OS — CID 5101723

IUPACN-phenyl-2-piperidin-1-yl-2-sulfanylideneacetamide
SMILESO=C(Nc1ccccc1)C(=S)N1CCCCC1
InChIInChI=1S/C13H16N2OS/c16-12(14-11-7-3-1-4-8-11)13(17)15-9-5-2-6-10-15/h1,3-4,7-8H,2,5-6,9-10H2,(H,14,16)
InChIKeyWMYJORCYVMXFFE-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.44
Rot. Bonds1

About N-phenyl-2-piperidin-1-yl-2-sulfanylideneacetamide

N-phenyl-2-piperidin-1-yl-2-sulfanylideneacetamide (PubChem CID 5101723) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-phenyl-2-piperidin-1-yl-2-sulfanylideneacetamide.

Molecular Properties

Compound NameN-phenyl-2-piperidin-1-yl-2-sulfanylideneacetamide
PubChem CID5101723
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-phenyl-2-piperidin-1-yl-2-sulfanylideneacetamide
SMILESO=C(Nc1ccccc1)C(=S)N1CCCCC1
InChIInChI=1S/C13H16N2OS/c16-12(14-11-7-3-1-4-8-11)13(17)15-9-5-2-6-10-15/h1,3-4,7-8H,2,5-6,9-10H2,(H,14,16)
InChIKeyWMYJORCYVMXFFE-UHFFFAOYSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-nitrophenyl)-2-piperidin-1-yl-2-sulfanylideneacetamide
CID 17386361
N-(4-ethoxyphenyl)-2-piperidin-1-yl-2-sulfanylideneacetamide
CID 2976563
N-[3-chloro-4-[(2-piperidin-1-yl-2-sulfanylideneacetyl)amino]phenyl]-2-piperidin-1-yl-2-sulfanylideneacetamide
CID 17384563
N-phenyl-N'-piperidin-1-yloxamide
CID 67261205
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
2-oxo-N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 108511608
1-phenyl-2-pyrrolidin-1-yl-2-sulfanylideneethanone
CID 102205481
2-cyano-3-oxo-N-phenyl-3-piperidin-1-ylpropanethioamide
CID 2771542
1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea
CID 24583495
4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 17474266
2-[2-[(2-anilino-2-oxoethanethioyl)amino]anilino]-N-phenyl-2-sulfanylideneacetamide
CID 44665432
2-piperidin-1-yl-2-sulfanylidene-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 25046214

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-piperidin-1-yl-2-sulfanylideneacetamide?
The IUPAC name of N-phenyl-2-piperidin-1-yl-2-sulfanylideneacetamide (CID 5101723) is N-phenyl-2-piperidin-1-yl-2-sulfanylideneacetamide.
What is the SMILES notation for N-phenyl-2-piperidin-1-yl-2-sulfanylideneacetamide?
The canonical SMILES for N-phenyl-2-piperidin-1-yl-2-sulfanylideneacetamide is O=C(Nc1ccccc1)C(=S)N1CCCCC1.
What is the InChIKey of N-phenyl-2-piperidin-1-yl-2-sulfanylideneacetamide?
The InChIKey is WMYJORCYVMXFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c16-12(14-11-7-3-1-4-8-11)13(17)15-9-5-2-6-10-15/h1,3-4,7-8H,2,5-6,9-10H2,(H,14,16).
What are the key properties of N-phenyl-2-piperidin-1-yl-2-sulfanylideneacetamide?
N-phenyl-2-piperidin-1-yl-2-sulfanylideneacetamide has a molecular weight of 248.35 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-piperidin-1-yl-2-sulfanylideneacetamide is sourced from PubChem (CID 5101723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).