3-(cyclopropylamino)-2,2-difluoropropane-1-sulfinic acid

C6H11F2NO2S — CID 58692025

IUPAC3-(cyclopropylamino)-2,2-difluoropropane-1-sulfinic acid
SMILESO=S(O)CC(F)(F)CNC1CC1
InChIInChI=1S/C6H11F2NO2S/c7-6(8,4-12(10)11)3-9-5-1-2-5/h5,9H,1-4H2,(H,10,11)
InChIKeyXDEWLCAKNYQYOJ-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.60
Rot. Bonds5

About 3-(cyclopropylamino)-2,2-difluoropropane-1-sulfinic acid

3-(cyclopropylamino)-2,2-difluoropropane-1-sulfinic acid (PubChem CID 58692025) has the molecular formula C6H11F2NO2S and a molecular weight of 199.22 g/mol. Its IUPAC name is 3-(cyclopropylamino)-2,2-difluoropropane-1-sulfinic acid.

Molecular Properties

Compound Name3-(cyclopropylamino)-2,2-difluoropropane-1-sulfinic acid
PubChem CID58692025
Molecular FormulaC6H11F2NO2S
Molecular Weight199.22 g/mol
Exact Mass199.05
IUPAC Name3-(cyclopropylamino)-2,2-difluoropropane-1-sulfinic acid
SMILESO=S(O)CC(F)(F)CNC1CC1
InChIInChI=1S/C6H11F2NO2S/c7-6(8,4-12(10)11)3-9-5-1-2-5/h5,9H,1-4H2,(H,10,11)
InChIKeyXDEWLCAKNYQYOJ-UHFFFAOYSA-N
XLogP0.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(cyclopropylamino)-2,2-difluoropropane-1-sulfinic acid 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

3-(Cyclopropylmethylamino)-2,2-difluoropropane-1-sulfonic acid
CID 11673062
3-[(2,2,2-Trifluoroethyl)amino]-1-propanesulfonic acid
CID 11708359
(2S)-3-(cyclopropylamino)-2-fluoropropane-1-sulfonic acid
CID 58691865
3-(Tert-butylamino)-2,2-difluoropropane-1-sulfinic acid
CID 58691877
(2R)-3-(cyclopropylamino)-2-fluoropropane-1-sulfonic acid
CID 58691896
3-(Cyclopropylamino)-2-fluoropropane-1-sulfonic acid
CID 58691912
3-(Tert-butylamino)-2,2-difluoropropane-1-sulfonic acid
CID 58691940
3-(Cyclopropylamino)-2-fluoropropane-1-sulfinic acid
CID 58691983
3-(Cyclopropylamino)-2,2-difluoropropane-1-sulfonic acid
CID 58691990
3-(Cyclopropylmethylamino)-2,2-difluoropropane-1-sulfinic acid
CID 58692047
(2R)-2-(cyclopropylamino)-2-fluoropropane-1-sulfonic acid
CID 87925298
(2S)-2-(cyclopropylamino)-2-fluoropropane-1-sulfonic acid
CID 87925517

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-2,2-difluoropropane-1-sulfinic acid?
The IUPAC name of 3-(cyclopropylamino)-2,2-difluoropropane-1-sulfinic acid (CID 58692025) is 3-(cyclopropylamino)-2,2-difluoropropane-1-sulfinic acid.
What is the SMILES notation for 3-(cyclopropylamino)-2,2-difluoropropane-1-sulfinic acid?
The canonical SMILES for 3-(cyclopropylamino)-2,2-difluoropropane-1-sulfinic acid is O=S(O)CC(F)(F)CNC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-2,2-difluoropropane-1-sulfinic acid?
The InChIKey is XDEWLCAKNYQYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2S/c7-6(8,4-12(10)11)3-9-5-1-2-5/h5,9H,1-4H2,(H,10,11).
What are the key properties of 3-(cyclopropylamino)-2,2-difluoropropane-1-sulfinic acid?
3-(cyclopropylamino)-2,2-difluoropropane-1-sulfinic acid has a molecular weight of 199.22 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-2,2-difluoropropane-1-sulfinic acid is sourced from PubChem (CID 58692025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).