3-(cyclopropylmethylamino)-2-fluoropropane-1-sulfinic acid

C7H14FNO2S — CID 58691872

IUPAC3-(cyclopropylmethylamino)-2-fluoropropane-1-sulfinic acid
SMILESO=S(O)CC(F)CNCC1CC1
InChIInChI=1S/C7H14FNO2S/c8-7(5-12(10)11)4-9-3-6-1-2-6/h6-7,9H,1-5H2,(H,10,11)
InChIKeyBZKSUSLIGROPHU-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.55
Rot. Bonds6

About 3-(cyclopropylmethylamino)-2-fluoropropane-1-sulfinic acid

3-(cyclopropylmethylamino)-2-fluoropropane-1-sulfinic acid (PubChem CID 58691872) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-(cyclopropylmethylamino)-2-fluoropropane-1-sulfinic acid.

Molecular Properties

Compound Name3-(cyclopropylmethylamino)-2-fluoropropane-1-sulfinic acid
PubChem CID58691872
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name3-(cyclopropylmethylamino)-2-fluoropropane-1-sulfinic acid
SMILESO=S(O)CC(F)CNCC1CC1
InChIInChI=1S/C7H14FNO2S/c8-7(5-12(10)11)4-9-3-6-1-2-6/h6-7,9H,1-5H2,(H,10,11)
InChIKeyBZKSUSLIGROPHU-UHFFFAOYSA-N
XLogP0.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(cyclopropylmethylamino)-2-fluoropropane-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

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylamino)-2-fluoropropane-1-sulfinic acid?
The IUPAC name of 3-(cyclopropylmethylamino)-2-fluoropropane-1-sulfinic acid (CID 58691872) is 3-(cyclopropylmethylamino)-2-fluoropropane-1-sulfinic acid.
What is the SMILES notation for 3-(cyclopropylmethylamino)-2-fluoropropane-1-sulfinic acid?
The canonical SMILES for 3-(cyclopropylmethylamino)-2-fluoropropane-1-sulfinic acid is O=S(O)CC(F)CNCC1CC1.
What is the InChIKey of 3-(cyclopropylmethylamino)-2-fluoropropane-1-sulfinic acid?
The InChIKey is BZKSUSLIGROPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c8-7(5-12(10)11)4-9-3-6-1-2-6/h6-7,9H,1-5H2,(H,10,11).
What are the key properties of 3-(cyclopropylmethylamino)-2-fluoropropane-1-sulfinic acid?
3-(cyclopropylmethylamino)-2-fluoropropane-1-sulfinic acid has a molecular weight of 195.26 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylamino)-2-fluoropropane-1-sulfinic acid is sourced from PubChem (CID 58691872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).