3-(cyclopentylamino)-2-fluoropropane-1-sulfonic acid

C8H16FNO3S — CID 58691933

IUPAC3-(cyclopentylamino)-2-fluoropropane-1-sulfonic acid
SMILESO=S(=O)(O)CC(F)CNC1CCCC1
InChIInChI=1S/C8H16FNO3S/c9-7(6-14(11,12)13)5-10-8-3-1-2-4-8/h7-8,10H,1-6H2,(H,11,12,13)
InChIKeyIFPWWHMQKYNVEG-UHFFFAOYSA-N
MW225.28 g/mol
LogP0.74
Rot. Bonds5

About 3-(cyclopentylamino)-2-fluoropropane-1-sulfonic acid

3-(cyclopentylamino)-2-fluoropropane-1-sulfonic acid (PubChem CID 58691933) has the molecular formula C8H16FNO3S and a molecular weight of 225.28 g/mol. Its IUPAC name is 3-(cyclopentylamino)-2-fluoropropane-1-sulfonic acid.

Molecular Properties

Compound Name3-(cyclopentylamino)-2-fluoropropane-1-sulfonic acid
PubChem CID58691933
Molecular FormulaC8H16FNO3S
Molecular Weight225.28 g/mol
Exact Mass225.08
IUPAC Name3-(cyclopentylamino)-2-fluoropropane-1-sulfonic acid
SMILESO=S(=O)(O)CC(F)CNC1CCCC1
InChIInChI=1S/C8H16FNO3S/c9-7(6-14(11,12)13)5-10-8-3-1-2-4-8/h7-8,10H,1-6H2,(H,11,12,13)
InChIKeyIFPWWHMQKYNVEG-UHFFFAOYSA-N
XLogP0.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(cyclopentylamino)-2-fluoropropane-1-sulfonic acid?
The IUPAC name of 3-(cyclopentylamino)-2-fluoropropane-1-sulfonic acid (CID 58691933) is 3-(cyclopentylamino)-2-fluoropropane-1-sulfonic acid.
What is the SMILES notation for 3-(cyclopentylamino)-2-fluoropropane-1-sulfonic acid?
The canonical SMILES for 3-(cyclopentylamino)-2-fluoropropane-1-sulfonic acid is O=S(=O)(O)CC(F)CNC1CCCC1.
What is the InChIKey of 3-(cyclopentylamino)-2-fluoropropane-1-sulfonic acid?
The InChIKey is IFPWWHMQKYNVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO3S/c9-7(6-14(11,12)13)5-10-8-3-1-2-4-8/h7-8,10H,1-6H2,(H,11,12,13).
What are the key properties of 3-(cyclopentylamino)-2-fluoropropane-1-sulfonic acid?
3-(cyclopentylamino)-2-fluoropropane-1-sulfonic acid has a molecular weight of 225.28 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)-2-fluoropropane-1-sulfonic acid is sourced from PubChem (CID 58691933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).