2-(4-fluorophenyl)sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide

C15H21FN2OS — CID 51072581

IUPAC2-(4-fluorophenyl)sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(N(C)C(=O)CSc2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2OS/c1-17-9-7-13(8-10-17)18(2)15(19)11-20-14-5-3-12(16)4-6-14/h3-6,13H,7-11H2,1-2H3
InChIKeyHWFAGDLCMUAYHF-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.47
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide

2-(4-fluorophenyl)sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 51072581) has the molecular formula C15H21FN2OS and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID51072581
Molecular FormulaC15H21FN2OS
Molecular Weight296.41 g/mol
Exact Mass296.14
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(N(C)C(=O)CSc2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2OS/c1-17-9-7-13(8-10-17)18(2)15(19)11-20-14-5-3-12(16)4-6-14/h3-6,13H,7-11H2,1-2H3
InChIKeyHWFAGDLCMUAYHF-UHFFFAOYSA-N
XLogP2.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide (CID 51072581) is 2-(4-fluorophenyl)sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide is CN1CCC(N(C)C(=O)CSc2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is HWFAGDLCMUAYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2OS/c1-17-9-7-13(8-10-17)18(2)15(19)11-20-14-5-3-12(16)4-6-14/h3-6,13H,7-11H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 296.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 51072581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).