2-(2-amino-4-fluorophenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone

C14H19FN2OS — CID 43304198

IUPAC2-(2-amino-4-fluorophenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CSc1ccc(F)cc1N
InChIInChI=1S/C14H19FN2OS/c1-10-4-2-3-7-17(10)14(18)9-19-13-6-5-11(15)8-12(13)16/h5-6,8,10H,2-4,7,9,16H2,1H3
InChIKeyYFLBHEFERFNXKD-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.90
Rot. Bonds3

About 2-(2-amino-4-fluorophenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone

2-(2-amino-4-fluorophenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 43304198) has the molecular formula C14H19FN2OS and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-(2-amino-4-fluorophenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-4-fluorophenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID43304198
Molecular FormulaC14H19FN2OS
Molecular Weight282.38 g/mol
Exact Mass282.12
IUPAC Name2-(2-amino-4-fluorophenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CSc1ccc(F)cc1N
InChIInChI=1S/C14H19FN2OS/c1-10-4-2-3-7-17(10)14(18)9-19-13-6-5-11(15)8-12(13)16/h5-6,8,10H,2-4,7,9,16H2,1H3
InChIKeyYFLBHEFERFNXKD-UHFFFAOYSA-N
XLogP2.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-amino-4-fluorophenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone 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-(2-amino-4-fluorophenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2-amino-4-fluorophenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone (CID 43304198) is 2-(2-amino-4-fluorophenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-amino-4-fluorophenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2-amino-4-fluorophenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1C(=O)CSc1ccc(F)cc1N.
What is the InChIKey of 2-(2-amino-4-fluorophenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is YFLBHEFERFNXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2OS/c1-10-4-2-3-7-17(10)14(18)9-19-13-6-5-11(15)8-12(13)16/h5-6,8,10H,2-4,7,9,16H2,1H3.
What are the key properties of 2-(2-amino-4-fluorophenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone?
2-(2-amino-4-fluorophenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 282.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluorophenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 43304198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).