3-[fluorosulfonyl(propyl)amino]propane-1-sulfonic acid

C6H14FNO5S2 — CID 20669614

IUPAC3-[fluorosulfonyl(propyl)amino]propane-1-sulfonic acid
SMILESCCCN(CCCS(=O)(=O)O)S(=O)(=O)F
InChIInChI=1S/C6H14FNO5S2/c1-2-4-8(15(7,12)13)5-3-6-14(9,10)11/h2-6H2,1H3,(H,9,10,11)
InChIKeyWSUPXPIEIWSPGF-UHFFFAOYSA-N
MW263.31 g/mol
LogP0.19
Rot. Bonds7

About 3-[fluorosulfonyl(propyl)amino]propane-1-sulfonic acid

3-[fluorosulfonyl(propyl)amino]propane-1-sulfonic acid (PubChem CID 20669614) has the molecular formula C6H14FNO5S2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 3-[fluorosulfonyl(propyl)amino]propane-1-sulfonic acid.

Molecular Properties

Compound Name3-[fluorosulfonyl(propyl)amino]propane-1-sulfonic acid
PubChem CID20669614
Molecular FormulaC6H14FNO5S2
Molecular Weight263.31 g/mol
Exact Mass263.03
IUPAC Name3-[fluorosulfonyl(propyl)amino]propane-1-sulfonic acid
SMILESCCCN(CCCS(=O)(=O)O)S(=O)(=O)F
InChIInChI=1S/C6H14FNO5S2/c1-2-4-8(15(7,12)13)5-3-6-14(9,10)11/h2-6H2,1H3,(H,9,10,11)
InChIKeyWSUPXPIEIWSPGF-UHFFFAOYSA-N
XLogP0.19
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[fluorosulfonyl(propyl)amino]propane-1-sulfonic acid?
The IUPAC name of 3-[fluorosulfonyl(propyl)amino]propane-1-sulfonic acid (CID 20669614) is 3-[fluorosulfonyl(propyl)amino]propane-1-sulfonic acid.
What is the SMILES notation for 3-[fluorosulfonyl(propyl)amino]propane-1-sulfonic acid?
The canonical SMILES for 3-[fluorosulfonyl(propyl)amino]propane-1-sulfonic acid is CCCN(CCCS(=O)(=O)O)S(=O)(=O)F.
What is the InChIKey of 3-[fluorosulfonyl(propyl)amino]propane-1-sulfonic acid?
The InChIKey is WSUPXPIEIWSPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO5S2/c1-2-4-8(15(7,12)13)5-3-6-14(9,10)11/h2-6H2,1H3,(H,9,10,11).
What are the key properties of 3-[fluorosulfonyl(propyl)amino]propane-1-sulfonic acid?
3-[fluorosulfonyl(propyl)amino]propane-1-sulfonic acid has a molecular weight of 263.31 g/mol, XLogP of 0.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[fluorosulfonyl(propyl)amino]propane-1-sulfonic acid is sourced from PubChem (CID 20669614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).