N-benzyl-2-piperidin-3-ylsulfanylacetamide

C14H20N2OS — CID 84754963

IUPACN-benzyl-2-piperidin-3-ylsulfanylacetamide
SMILESO=C(CSC1CCCNC1)NCc1ccccc1
InChIInChI=1S/C14H20N2OS/c17-14(11-18-13-7-4-8-15-10-13)16-9-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2,(H,16,17)
InChIKeyDDXGRILDCBGFCY-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.79
Rot. Bonds5

About N-benzyl-2-piperidin-3-ylsulfanylacetamide

N-benzyl-2-piperidin-3-ylsulfanylacetamide (PubChem CID 84754963) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-benzyl-2-piperidin-3-ylsulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-piperidin-3-ylsulfanylacetamide
PubChem CID84754963
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-benzyl-2-piperidin-3-ylsulfanylacetamide
SMILESO=C(CSC1CCCNC1)NCc1ccccc1
InChIInChI=1S/C14H20N2OS/c17-14(11-18-13-7-4-8-15-10-13)16-9-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2,(H,16,17)
InChIKeyDDXGRILDCBGFCY-UHFFFAOYSA-N
XLogP1.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-2-piperidin-3-ylsulfanylacetamide
CID 84754956
2-piperidin-3-ylsulfanyl-N-propylacetamide
CID 84755018
N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626456
N-benzyl-1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide
CID 99843263
N-[(3-methylphenyl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626861
3-(3-phenylpropylsulfanyl)piperidine
CID 84754997
N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62690707
1-benzyl-3-(1-piperidin-3-ylethyl)urea
CID 107653393
N-benzyl-2-(cyclobutylmethylamino)acetamide
CID 43298629
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-[(3-fluorophenyl)methyl]-2-piperidin-3-ylacetamide
CID 55105179
2-piperidin-3-yl-N-(pyridin-3-ylmethyl)acetamide
CID 62675411

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-piperidin-3-ylsulfanylacetamide?
The IUPAC name of N-benzyl-2-piperidin-3-ylsulfanylacetamide (CID 84754963) is N-benzyl-2-piperidin-3-ylsulfanylacetamide.
What is the SMILES notation for N-benzyl-2-piperidin-3-ylsulfanylacetamide?
The canonical SMILES for N-benzyl-2-piperidin-3-ylsulfanylacetamide is O=C(CSC1CCCNC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-piperidin-3-ylsulfanylacetamide?
The InChIKey is DDXGRILDCBGFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c17-14(11-18-13-7-4-8-15-10-13)16-9-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2,(H,16,17).
What are the key properties of N-benzyl-2-piperidin-3-ylsulfanylacetamide?
N-benzyl-2-piperidin-3-ylsulfanylacetamide has a molecular weight of 264.39 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-piperidin-3-ylsulfanylacetamide is sourced from PubChem (CID 84754963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).