3-(3,3-difluoropiperidin-1-yl)propane-1-sulfonic acid

C8H15F2NO3S — CID 175429704

IUPAC3-(3,3-difluoropiperidin-1-yl)propane-1-sulfonic acid
SMILESO=S(=O)(O)CCCN1CCCC(F)(F)C1
InChIInChI=1S/C8H15F2NO3S/c9-8(10)3-1-4-11(7-8)5-2-6-15(12,13)14/h1-7H2,(H,12,13,14)
InChIKeySATXZKZZBYKETA-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.00
Rot. Bonds4

About 3-(3,3-difluoropiperidin-1-yl)propane-1-sulfonic acid

3-(3,3-difluoropiperidin-1-yl)propane-1-sulfonic acid (PubChem CID 175429704) has the molecular formula C8H15F2NO3S and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-(3,3-difluoropiperidin-1-yl)propane-1-sulfonic acid.

Molecular Properties

Compound Name3-(3,3-difluoropiperidin-1-yl)propane-1-sulfonic acid
PubChem CID175429704
Molecular FormulaC8H15F2NO3S
Molecular Weight243.27 g/mol
Exact Mass243.07
IUPAC Name3-(3,3-difluoropiperidin-1-yl)propane-1-sulfonic acid
SMILESO=S(=O)(O)CCCN1CCCC(F)(F)C1
InChIInChI=1S/C8H15F2NO3S/c9-8(10)3-1-4-11(7-8)5-2-6-15(12,13)14/h1-7H2,(H,12,13,14)
InChIKeySATXZKZZBYKETA-UHFFFAOYSA-N
XLogP1.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-(3,3-difluoropiperidin-1-yl)propanal
CID 164657437
3,3-difluoro-1-(3-methylbutyl)piperidine
CID 59748001
1-(2-butoxyethyl)-3,3-difluoropiperidine
CID 154627823
1-(3-ethylsulfonylpropyl)-3-methylpiperidin-3-ol
CID 115873963
sodium;hydride;3-morpholin-4-ylpropane-1-sulfonic acid
CID 172999805
3-[4-methyl-4-(3-sulfopropyl)piperazin-4-ium-1-yl]propane-1-sulfonic acid
CID 123500792
3-(4-methylpiperidin-1-yl)propane-1-sulfonic acid
CID 167111831
1-(3-ethylsulfonylpropyl)-3-propylpiperidine-3-carboxylic acid
CID 65097732
3-(3-fluoro-3-methylpiperidin-1-yl)propan-1-ol
CID 126793849
potassium (3,3-difluoropiperidin-1-yl)methyl-trifluoroboranuide
CID 164647179
(E)-4-(3,3-difluoropiperidin-1-yl)-2-methylbut-2-enoic acid
CID 164657444
3-(2-methylmorpholin-4-yl)propane-1-sulfonic acid
CID 118436012

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoropiperidin-1-yl)propane-1-sulfonic acid?
The IUPAC name of 3-(3,3-difluoropiperidin-1-yl)propane-1-sulfonic acid (CID 175429704) is 3-(3,3-difluoropiperidin-1-yl)propane-1-sulfonic acid.
What is the SMILES notation for 3-(3,3-difluoropiperidin-1-yl)propane-1-sulfonic acid?
The canonical SMILES for 3-(3,3-difluoropiperidin-1-yl)propane-1-sulfonic acid is O=S(=O)(O)CCCN1CCCC(F)(F)C1.
What is the InChIKey of 3-(3,3-difluoropiperidin-1-yl)propane-1-sulfonic acid?
The InChIKey is SATXZKZZBYKETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO3S/c9-8(10)3-1-4-11(7-8)5-2-6-15(12,13)14/h1-7H2,(H,12,13,14).
What are the key properties of 3-(3,3-difluoropiperidin-1-yl)propane-1-sulfonic acid?
3-(3,3-difluoropiperidin-1-yl)propane-1-sulfonic acid has a molecular weight of 243.27 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoropiperidin-1-yl)propane-1-sulfonic acid is sourced from PubChem (CID 175429704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).