N-phenyl-2-piperidin-3-ylsulfanylacetamide

C13H18N2OS — CID 84754956

IUPACN-phenyl-2-piperidin-3-ylsulfanylacetamide
SMILESO=C(CSC1CCCNC1)Nc1ccccc1
InChIInChI=1S/C13H18N2OS/c16-13(15-11-5-2-1-3-6-11)10-17-12-7-4-8-14-9-12/h1-3,5-6,12,14H,4,7-10H2,(H,15,16)
InChIKeyGKKWTWGRMVUHNJ-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.11
Rot. Bonds4

About N-phenyl-2-piperidin-3-ylsulfanylacetamide

N-phenyl-2-piperidin-3-ylsulfanylacetamide (PubChem CID 84754956) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-phenyl-2-piperidin-3-ylsulfanylacetamide.

Molecular Properties

Compound NameN-phenyl-2-piperidin-3-ylsulfanylacetamide
PubChem CID84754956
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-phenyl-2-piperidin-3-ylsulfanylacetamide
SMILESO=C(CSC1CCCNC1)Nc1ccccc1
InChIInChI=1S/C13H18N2OS/c16-13(15-11-5-2-1-3-6-11)10-17-12-7-4-8-14-9-12/h1-3,5-6,12,14H,4,7-10H2,(H,15,16)
InChIKeyGKKWTWGRMVUHNJ-UHFFFAOYSA-N
XLogP2.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexylsulfanyl-N-phenylacetamide
CID 23932731
N-benzyl-2-piperidin-3-ylsulfanylacetamide
CID 84754963
N-phenyl-2-piperidin-3-ylsulfanylpropanamide
CID 84754961
2-cyclohexylsulfanyl-N-(4-fluorophenyl)acetamide
CID 734043
N-phenyl-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119840821
2-piperidin-3-ylsulfanyl-N-propylacetamide
CID 84755018
N-phenyl-2-(2-piperidin-3-ylethoxy)acetamide
CID 62357691
1-phenyl-3-(2-piperidin-3-ylethyl)urea
CID 60895337
piperidin-3-ylmethyl N-phenylcarbamate
CID 79336996
N-(4-ethylphenyl)-2-piperidin-4-ylsulfanylacetamide
CID 82181207
N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide
CID 119738344
2-cyclopropyl-N-phenylacetamide
CID 60753326

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-piperidin-3-ylsulfanylacetamide?
The IUPAC name of N-phenyl-2-piperidin-3-ylsulfanylacetamide (CID 84754956) is N-phenyl-2-piperidin-3-ylsulfanylacetamide.
What is the SMILES notation for N-phenyl-2-piperidin-3-ylsulfanylacetamide?
The canonical SMILES for N-phenyl-2-piperidin-3-ylsulfanylacetamide is O=C(CSC1CCCNC1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-piperidin-3-ylsulfanylacetamide?
The InChIKey is GKKWTWGRMVUHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c16-13(15-11-5-2-1-3-6-11)10-17-12-7-4-8-14-9-12/h1-3,5-6,12,14H,4,7-10H2,(H,15,16).
What are the key properties of N-phenyl-2-piperidin-3-ylsulfanylacetamide?
N-phenyl-2-piperidin-3-ylsulfanylacetamide has a molecular weight of 250.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-piperidin-3-ylsulfanylacetamide is sourced from PubChem (CID 84754956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).