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

C6H11F2NO3S — CID 58691990

IUPAC3-(cyclopropylamino)-2,2-difluoropropane-1-sulfonic acid
SMILESO=S(=O)(O)CC(F)(F)CNC1CC1
InChIInChI=1S/C6H11F2NO3S/c7-6(8,4-13(10,11)12)3-9-5-1-2-5/h5,9H,1-4H2,(H,10,11,12)
InChIKeyYAHBCGYWNREXET-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.26
Rot. Bonds5

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

3-(cyclopropylamino)-2,2-difluoropropane-1-sulfonic acid (PubChem CID 58691990) has the molecular formula C6H11F2NO3S and a molecular weight of 215.22 g/mol. Its IUPAC name is 3-(cyclopropylamino)-2,2-difluoropropane-1-sulfonic acid.

Molecular Properties

Compound Name3-(cyclopropylamino)-2,2-difluoropropane-1-sulfonic acid
PubChem CID58691990
Molecular FormulaC6H11F2NO3S
Molecular Weight215.22 g/mol
Exact Mass215.04
IUPAC Name3-(cyclopropylamino)-2,2-difluoropropane-1-sulfonic acid
SMILESO=S(=O)(O)CC(F)(F)CNC1CC1
InChIInChI=1S/C6H11F2NO3S/c7-6(8,4-13(10,11)12)3-9-5-1-2-5/h5,9H,1-4H2,(H,10,11,12)
InChIKeyYAHBCGYWNREXET-UHFFFAOYSA-N
XLogP0.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.26
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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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-(cyclopropylmethylamino)-2-fluoropropane-1-sulfonic acid
CID 58691880
(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
(2S)-3-(cyclopropylmethylamino)-2-fluoropropane-1-sulfonic acid
CID 58691948
3-(Cyclopropylamino)-2-fluoropropane-1-sulfinic acid
CID 58691983
3-(Cyclopropylmethylamino)-2-fluoropropane-1-sulfonic acid
CID 58691995
3-(Cyclopropylamino)-2,2-difluoropropane-1-sulfinic acid
CID 58692025

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-2,2-difluoropropane-1-sulfonic acid?
The IUPAC name of 3-(cyclopropylamino)-2,2-difluoropropane-1-sulfonic acid (CID 58691990) is 3-(cyclopropylamino)-2,2-difluoropropane-1-sulfonic acid.
What is the SMILES notation for 3-(cyclopropylamino)-2,2-difluoropropane-1-sulfonic acid?
The canonical SMILES for 3-(cyclopropylamino)-2,2-difluoropropane-1-sulfonic acid is O=S(=O)(O)CC(F)(F)CNC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-2,2-difluoropropane-1-sulfonic acid?
The InChIKey is YAHBCGYWNREXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO3S/c7-6(8,4-13(10,11)12)3-9-5-1-2-5/h5,9H,1-4H2,(H,10,11,12).
What are the key properties of 3-(cyclopropylamino)-2,2-difluoropropane-1-sulfonic acid?
3-(cyclopropylamino)-2,2-difluoropropane-1-sulfonic acid has a molecular weight of 215.22 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-(cyclopropylamino)-2,2-difluoropropane-1-sulfonic acid is sourced from PubChem (CID 58691990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).