N-(2-methylsulfanylphenyl)-2-piperidin-1-ylacetamide

C14H20N2OS — CID 2621639

IUPACN-(2-methylsulfanylphenyl)-2-piperidin-1-ylacetamide
SMILESCSc1ccccc1NC(=O)CN1CCCCC1
InChIInChI=1S/C14H20N2OS/c1-18-13-8-4-3-7-12(13)15-14(17)11-16-9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,15,17)
InChIKeyFMMHNTSPPMOXDF-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.83
Rot. Bonds4

About N-(2-methylsulfanylphenyl)-2-piperidin-1-ylacetamide

N-(2-methylsulfanylphenyl)-2-piperidin-1-ylacetamide (PubChem CID 2621639) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-2-piperidin-1-ylacetamide
PubChem CID2621639
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-(2-methylsulfanylphenyl)-2-piperidin-1-ylacetamide
SMILESCSc1ccccc1NC(=O)CN1CCCCC1
InChIInChI=1S/C14H20N2OS/c1-18-13-8-4-3-7-12(13)15-14(17)11-16-9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,15,17)
InChIKeyFMMHNTSPPMOXDF-UHFFFAOYSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-2-piperidin-1-ylacetamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-2-piperidin-1-ylacetamide (CID 2621639) is N-(2-methylsulfanylphenyl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-2-piperidin-1-ylacetamide is CSc1ccccc1NC(=O)CN1CCCCC1.
What is the InChIKey of N-(2-methylsulfanylphenyl)-2-piperidin-1-ylacetamide?
The InChIKey is FMMHNTSPPMOXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-18-13-8-4-3-7-12(13)15-14(17)11-16-9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,15,17).
What are the key properties of N-(2-methylsulfanylphenyl)-2-piperidin-1-ylacetamide?
N-(2-methylsulfanylphenyl)-2-piperidin-1-ylacetamide has a molecular weight of 264.39 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 2621639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).