2-(4-fluorophenyl)sulfanyl-N-piperidin-1-ylacetamide

C13H17FN2OS — CID 9271541

IUPAC2-(4-fluorophenyl)sulfanyl-N-piperidin-1-ylacetamide
SMILESO=C(CSc1ccc(F)cc1)NN1CCCCC1
InChIInChI=1S/C13H17FN2OS/c14-11-4-6-12(7-5-11)18-10-13(17)15-16-8-2-1-3-9-16/h4-7H,1-3,8-10H2,(H,15,17)
InChIKeyBWPNCXWEMMWGCR-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.43
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-N-piperidin-1-ylacetamide

2-(4-fluorophenyl)sulfanyl-N-piperidin-1-ylacetamide (PubChem CID 9271541) has the molecular formula C13H17FN2OS and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-piperidin-1-ylacetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-piperidin-1-ylacetamide
PubChem CID9271541
Molecular FormulaC13H17FN2OS
Molecular Weight268.36 g/mol
Exact Mass268.10
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-piperidin-1-ylacetamide
SMILESO=C(CSc1ccc(F)cc1)NN1CCCCC1
InChIInChI=1S/C13H17FN2OS/c14-11-4-6-12(7-5-11)18-10-13(17)15-16-8-2-1-3-9-16/h4-7H,1-3,8-10H2,(H,15,17)
InChIKeyBWPNCXWEMMWGCR-UHFFFAOYSA-N
XLogP2.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-piperidin-1-ylacetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-piperidin-1-ylacetamide (CID 9271541) is 2-(4-fluorophenyl)sulfanyl-N-piperidin-1-ylacetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-piperidin-1-ylacetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-piperidin-1-ylacetamide is O=C(CSc1ccc(F)cc1)NN1CCCCC1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-piperidin-1-ylacetamide?
The InChIKey is BWPNCXWEMMWGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2OS/c14-11-4-6-12(7-5-11)18-10-13(17)15-16-8-2-1-3-9-16/h4-7H,1-3,8-10H2,(H,15,17).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-piperidin-1-ylacetamide?
2-(4-fluorophenyl)sulfanyl-N-piperidin-1-ylacetamide has a molecular weight of 268.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-piperidin-1-ylacetamide is sourced from PubChem (CID 9271541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).