2-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-2-yl]acetamide

C16H23ClN2OS — CID 56509890

IUPAC2-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-2-yl]acetamide
SMILESNC(=O)CC1CCCCN1CCCSc1ccccc1Cl
InChIInChI=1S/C16H23ClN2OS/c17-14-7-1-2-8-15(14)21-11-5-10-19-9-4-3-6-13(19)12-16(18)20/h1-2,7-8,13H,3-6,9-12H2,(H2,18,20)
InChIKeyRIFVNYLHMOGQFN-UHFFFAOYSA-N
MW326.89 g/mol
LogP3.55
Rot. Bonds7

About 2-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-2-yl]acetamide

2-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-2-yl]acetamide (PubChem CID 56509890) has the molecular formula C16H23ClN2OS and a molecular weight of 326.89 g/mol. Its IUPAC name is 2-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-2-yl]acetamide
PubChem CID56509890
Molecular FormulaC16H23ClN2OS
Molecular Weight326.89 g/mol
Exact Mass326.12
IUPAC Name2-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-2-yl]acetamide
SMILESNC(=O)CC1CCCCN1CCCSc1ccccc1Cl
InChIInChI=1S/C16H23ClN2OS/c17-14-7-1-2-8-15(14)21-11-5-10-19-9-4-3-6-13(19)12-16(18)20/h1-2,7-8,13H,3-6,9-12H2,(H2,18,20)
InChIKeyRIFVNYLHMOGQFN-UHFFFAOYSA-N
XLogP3.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.89
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-2-yl]acetamide?
The IUPAC name of 2-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-2-yl]acetamide (CID 56509890) is 2-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-2-yl]acetamide.
What is the SMILES notation for 2-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-2-yl]acetamide?
The canonical SMILES for 2-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-2-yl]acetamide is NC(=O)CC1CCCCN1CCCSc1ccccc1Cl.
What is the InChIKey of 2-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-2-yl]acetamide?
The InChIKey is RIFVNYLHMOGQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2OS/c17-14-7-1-2-8-15(14)21-11-5-10-19-9-4-3-6-13(19)12-16(18)20/h1-2,7-8,13H,3-6,9-12H2,(H2,18,20).
What are the key properties of 2-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-2-yl]acetamide?
2-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-2-yl]acetamide has a molecular weight of 326.89 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-2-yl]acetamide is sourced from PubChem (CID 56509890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).