3-fluoro-N-(4-methylpiperidin-3-yl)propane-1-sulfonamide

C9H19FN2O2S — CID 120722748

IUPAC3-fluoro-N-(4-methylpiperidin-3-yl)propane-1-sulfonamide
SMILESCC1CCNCC1NS(=O)(=O)CCCF
InChIInChI=1S/C9H19FN2O2S/c1-8-3-5-11-7-9(8)12-15(13,14)6-2-4-10/h8-9,11-12H,2-7H2,1H3
InChIKeySUKFPDVFHBLMRJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.26
Rot. Bonds5

About 3-fluoro-N-(4-methylpiperidin-3-yl)propane-1-sulfonamide

3-fluoro-N-(4-methylpiperidin-3-yl)propane-1-sulfonamide (PubChem CID 120722748) has the molecular formula C9H19FN2O2S and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-fluoro-N-(4-methylpiperidin-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(4-methylpiperidin-3-yl)propane-1-sulfonamide
PubChem CID120722748
Molecular FormulaC9H19FN2O2S
Molecular Weight238.33 g/mol
Exact Mass238.12
IUPAC Name3-fluoro-N-(4-methylpiperidin-3-yl)propane-1-sulfonamide
SMILESCC1CCNCC1NS(=O)(=O)CCCF
InChIInChI=1S/C9H19FN2O2S/c1-8-3-5-11-7-9(8)12-15(13,14)6-2-4-10/h8-9,11-12H,2-7H2,1H3
InChIKeySUKFPDVFHBLMRJ-UHFFFAOYSA-N
XLogP0.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-N-(4-methylpiperidin-3-yl)propane-1-sulfonamide 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 3-fluoro-N-(4-methylpiperidin-3-yl)propane-1-sulfonamide?
The IUPAC name of 3-fluoro-N-(4-methylpiperidin-3-yl)propane-1-sulfonamide (CID 120722748) is 3-fluoro-N-(4-methylpiperidin-3-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-fluoro-N-(4-methylpiperidin-3-yl)propane-1-sulfonamide?
The canonical SMILES for 3-fluoro-N-(4-methylpiperidin-3-yl)propane-1-sulfonamide is CC1CCNCC1NS(=O)(=O)CCCF.
What is the InChIKey of 3-fluoro-N-(4-methylpiperidin-3-yl)propane-1-sulfonamide?
The InChIKey is SUKFPDVFHBLMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2O2S/c1-8-3-5-11-7-9(8)12-15(13,14)6-2-4-10/h8-9,11-12H,2-7H2,1H3.
What are the key properties of 3-fluoro-N-(4-methylpiperidin-3-yl)propane-1-sulfonamide?
3-fluoro-N-(4-methylpiperidin-3-yl)propane-1-sulfonamide has a molecular weight of 238.33 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-methylpiperidin-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 120722748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).