3-(sulfinatoamino)but-1-ene

C4H8NO2S- — CID 19970262

IUPAC3-(sulfinatoamino)but-1-ene
SMILESC=CC(C)NS(=O)[O-]
InChIInChI=1S/C4H9NO2S/c1-3-4(2)5-8(6)7/h3-5H,1H2,2H3,(H,6,7)/p-1
InChIKeyCPHQDFYAFOHDHZ-UHFFFAOYSA-M
MW134.18 g/mol
LogP-0.06
Rot. Bonds3

About 3-(sulfinatoamino)but-1-ene

3-(sulfinatoamino)but-1-ene (PubChem CID 19970262) has the molecular formula C4H8NO2S- and a molecular weight of 134.18 g/mol. Its IUPAC name is 3-(sulfinatoamino)but-1-ene.

Molecular Properties

Compound Name3-(sulfinatoamino)but-1-ene
PubChem CID19970262
Molecular FormulaC4H8NO2S-
Molecular Weight134.18 g/mol
Exact Mass134.03
IUPAC Name3-(sulfinatoamino)but-1-ene
SMILESC=CC(C)NS(=O)[O-]
InChIInChI=1S/C4H9NO2S/c1-3-4(2)5-8(6)7/h3-5H,1H2,2H3,(H,6,7)/p-1
InChIKeyCPHQDFYAFOHDHZ-UHFFFAOYSA-M
XLogP-0.06
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(sulfinatoamino)but-1-ene?
The IUPAC name of 3-(sulfinatoamino)but-1-ene (CID 19970262) is 3-(sulfinatoamino)but-1-ene.
What is the SMILES notation for 3-(sulfinatoamino)but-1-ene?
The canonical SMILES for 3-(sulfinatoamino)but-1-ene is C=CC(C)NS(=O)[O-].
What is the InChIKey of 3-(sulfinatoamino)but-1-ene?
The InChIKey is CPHQDFYAFOHDHZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9NO2S/c1-3-4(2)5-8(6)7/h3-5H,1H2,2H3,(H,6,7)/p-1.
What are the key properties of 3-(sulfinatoamino)but-1-ene?
3-(sulfinatoamino)but-1-ene has a molecular weight of 134.18 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(sulfinatoamino)but-1-ene is sourced from PubChem (CID 19970262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).