2-fluoro-N-(1-piperidin-1-ylpropan-2-yl)-5-sulfanylbenzamide

C15H21FN2OS — CID 107025381

IUPAC2-fluoro-N-(1-piperidin-1-ylpropan-2-yl)-5-sulfanylbenzamide
SMILESCC(CN1CCCCC1)NC(=O)c1cc(S)ccc1F
InChIInChI=1S/C15H21FN2OS/c1-11(10-18-7-3-2-4-8-18)17-15(19)13-9-12(20)5-6-14(13)16/h5-6,9,11,20H,2-4,7-8,10H2,1H3,(H,17,19)
InChIKeyIGGCTRKCOOOBHA-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.72
Rot. Bonds4

About 2-fluoro-N-(1-piperidin-1-ylpropan-2-yl)-5-sulfanylbenzamide

2-fluoro-N-(1-piperidin-1-ylpropan-2-yl)-5-sulfanylbenzamide (PubChem CID 107025381) has the molecular formula C15H21FN2OS and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-fluoro-N-(1-piperidin-1-ylpropan-2-yl)-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(1-piperidin-1-ylpropan-2-yl)-5-sulfanylbenzamide
PubChem CID107025381
Molecular FormulaC15H21FN2OS
Molecular Weight296.41 g/mol
Exact Mass296.14
IUPAC Name2-fluoro-N-(1-piperidin-1-ylpropan-2-yl)-5-sulfanylbenzamide
SMILESCC(CN1CCCCC1)NC(=O)c1cc(S)ccc1F
InChIInChI=1S/C15H21FN2OS/c1-11(10-18-7-3-2-4-8-18)17-15(19)13-9-12(20)5-6-14(13)16/h5-6,9,11,20H,2-4,7-8,10H2,1H3,(H,17,19)
InChIKeyIGGCTRKCOOOBHA-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-fluoro-N-(1-piperidin-1-ylpropan-2-yl)-5-sulfanylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5-sulfanylbenzamide
CID 107025186
N-(1-piperidin-1-ylpropan-2-yl)-3-sulfanylbenzamide
CID 107025389
4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 63213435
5-chloro-2-hydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217192
4-fluoro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 112702718
2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61471794
5-amino-2-bromo-4-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 62815269
4-amino-2-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride
CID 119851476
2-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-5-sulfanylbenzamide
CID 107032027
2-hydrazinyl-5-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 62511679
4-fluoro-3-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217350
2-chloro-N-(1-piperidin-1-ylpropan-2-yl)furan-3-carboxamide
CID 106685808

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-piperidin-1-ylpropan-2-yl)-5-sulfanylbenzamide?
The IUPAC name of 2-fluoro-N-(1-piperidin-1-ylpropan-2-yl)-5-sulfanylbenzamide (CID 107025381) is 2-fluoro-N-(1-piperidin-1-ylpropan-2-yl)-5-sulfanylbenzamide.
What is the SMILES notation for 2-fluoro-N-(1-piperidin-1-ylpropan-2-yl)-5-sulfanylbenzamide?
The canonical SMILES for 2-fluoro-N-(1-piperidin-1-ylpropan-2-yl)-5-sulfanylbenzamide is CC(CN1CCCCC1)NC(=O)c1cc(S)ccc1F.
What is the InChIKey of 2-fluoro-N-(1-piperidin-1-ylpropan-2-yl)-5-sulfanylbenzamide?
The InChIKey is IGGCTRKCOOOBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2OS/c1-11(10-18-7-3-2-4-8-18)17-15(19)13-9-12(20)5-6-14(13)16/h5-6,9,11,20H,2-4,7-8,10H2,1H3,(H,17,19).
What are the key properties of 2-fluoro-N-(1-piperidin-1-ylpropan-2-yl)-5-sulfanylbenzamide?
2-fluoro-N-(1-piperidin-1-ylpropan-2-yl)-5-sulfanylbenzamide has a molecular weight of 296.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-piperidin-1-ylpropan-2-yl)-5-sulfanylbenzamide is sourced from PubChem (CID 107025381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).