3-formamidopropane-1-sulfinate

C4H8NO3S- — CID 57070172

IUPAC3-formamidopropane-1-sulfinate
SMILESO=CNCCCS(=O)[O-]
InChIInChI=1S/C4H9NO3S/c6-4-5-2-1-3-9(7)8/h4H,1-3H2,(H,5,6)(H,7,8)/p-1
InChIKeyOHMRUSSGIRLTEB-UHFFFAOYSA-M
MW150.18 g/mol
LogP-1.00
Rot. Bonds5

About 3-formamidopropane-1-sulfinate

3-formamidopropane-1-sulfinate (PubChem CID 57070172) has the molecular formula C4H8NO3S- and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-formamidopropane-1-sulfinate.

Molecular Properties

Compound Name3-formamidopropane-1-sulfinate
PubChem CID57070172
Molecular FormulaC4H8NO3S-
Molecular Weight150.18 g/mol
Exact Mass150.02
IUPAC Name3-formamidopropane-1-sulfinate
SMILESO=CNCCCS(=O)[O-]
InChIInChI=1S/C4H9NO3S/c6-4-5-2-1-3-9(7)8/h4H,1-3H2,(H,5,6)(H,7,8)/p-1
InChIKeyOHMRUSSGIRLTEB-UHFFFAOYSA-M
XLogP-1.00
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-formamidopropane-1-sulfinate 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-formamidopropane-1-sulfinate?
The IUPAC name of 3-formamidopropane-1-sulfinate (CID 57070172) is 3-formamidopropane-1-sulfinate.
What is the SMILES notation for 3-formamidopropane-1-sulfinate?
The canonical SMILES for 3-formamidopropane-1-sulfinate is O=CNCCCS(=O)[O-].
What is the InChIKey of 3-formamidopropane-1-sulfinate?
The InChIKey is OHMRUSSGIRLTEB-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9NO3S/c6-4-5-2-1-3-9(7)8/h4H,1-3H2,(H,5,6)(H,7,8)/p-1.
What are the key properties of 3-formamidopropane-1-sulfinate?
3-formamidopropane-1-sulfinate has a molecular weight of 150.18 g/mol, XLogP of -1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formamidopropane-1-sulfinate is sourced from PubChem (CID 57070172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).