1-fluoro-3-(sulfinatoamino)propane

C3H7FNO2S- — CID 91582884

IUPAC1-fluoro-3-(sulfinatoamino)propane
SMILESO=S([O-])NCCCF
InChIInChI=1S/C3H8FNO2S/c4-2-1-3-5-8(6)7/h5H,1-3H2,(H,6,7)/p-1
InChIKeyBJADDCUVRHXQCH-UHFFFAOYSA-M
MW140.16 g/mol
LogP-0.27
Rot. Bonds4

About 1-fluoro-3-(sulfinatoamino)propane

1-fluoro-3-(sulfinatoamino)propane (PubChem CID 91582884) has the molecular formula C3H7FNO2S- and a molecular weight of 140.16 g/mol. Its IUPAC name is 1-fluoro-3-(sulfinatoamino)propane.

Molecular Properties

Compound Name1-fluoro-3-(sulfinatoamino)propane
PubChem CID91582884
Molecular FormulaC3H7FNO2S-
Molecular Weight140.16 g/mol
Exact Mass140.02
IUPAC Name1-fluoro-3-(sulfinatoamino)propane
SMILESO=S([O-])NCCCF
InChIInChI=1S/C3H8FNO2S/c4-2-1-3-5-8(6)7/h5H,1-3H2,(H,6,7)/p-1
InChIKeyBJADDCUVRHXQCH-UHFFFAOYSA-M
XLogP-0.27
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-fluoro-3-(sulfinatoamino)propane 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 1-fluoro-3-(sulfinatoamino)propane?
The IUPAC name of 1-fluoro-3-(sulfinatoamino)propane (CID 91582884) is 1-fluoro-3-(sulfinatoamino)propane.
What is the SMILES notation for 1-fluoro-3-(sulfinatoamino)propane?
The canonical SMILES for 1-fluoro-3-(sulfinatoamino)propane is O=S([O-])NCCCF.
What is the InChIKey of 1-fluoro-3-(sulfinatoamino)propane?
The InChIKey is BJADDCUVRHXQCH-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8FNO2S/c4-2-1-3-5-8(6)7/h5H,1-3H2,(H,6,7)/p-1.
What are the key properties of 1-fluoro-3-(sulfinatoamino)propane?
1-fluoro-3-(sulfinatoamino)propane has a molecular weight of 140.16 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(sulfinatoamino)propane is sourced from PubChem (CID 91582884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).