3-methyl-3-(sulfinatoamino)but-1-ene

C5H10NO2S- — CID 175175709

IUPAC3-methyl-3-(sulfinatoamino)but-1-ene
SMILESC=CC(C)(C)NS(=O)[O-]
InChIInChI=1S/C5H11NO2S/c1-4-5(2,3)6-9(7)8/h4,6H,1H2,2-3H3,(H,7,8)/p-1
InChIKeyONKZQMVFHAFODZ-UHFFFAOYSA-M
MW148.21 g/mol
LogP0.33
Rot. Bonds3

About 3-methyl-3-(sulfinatoamino)but-1-ene

3-methyl-3-(sulfinatoamino)but-1-ene (PubChem CID 175175709) has the molecular formula C5H10NO2S- and a molecular weight of 148.21 g/mol. Its IUPAC name is 3-methyl-3-(sulfinatoamino)but-1-ene.

Molecular Properties

Compound Name3-methyl-3-(sulfinatoamino)but-1-ene
PubChem CID175175709
Molecular FormulaC5H10NO2S-
Molecular Weight148.21 g/mol
Exact Mass148.04
IUPAC Name3-methyl-3-(sulfinatoamino)but-1-ene
SMILESC=CC(C)(C)NS(=O)[O-]
InChIInChI=1S/C5H11NO2S/c1-4-5(2,3)6-9(7)8/h4,6H,1H2,2-3H3,(H,7,8)/p-1
InChIKeyONKZQMVFHAFODZ-UHFFFAOYSA-M
XLogP0.33
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.33
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-methyl-3-(sulfinatoamino)but-1-ene?
The IUPAC name of 3-methyl-3-(sulfinatoamino)but-1-ene (CID 175175709) is 3-methyl-3-(sulfinatoamino)but-1-ene.
What is the SMILES notation for 3-methyl-3-(sulfinatoamino)but-1-ene?
The canonical SMILES for 3-methyl-3-(sulfinatoamino)but-1-ene is C=CC(C)(C)NS(=O)[O-].
What is the InChIKey of 3-methyl-3-(sulfinatoamino)but-1-ene?
The InChIKey is ONKZQMVFHAFODZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11NO2S/c1-4-5(2,3)6-9(7)8/h4,6H,1H2,2-3H3,(H,7,8)/p-1.
What are the key properties of 3-methyl-3-(sulfinatoamino)but-1-ene?
3-methyl-3-(sulfinatoamino)but-1-ene has a molecular weight of 148.21 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(sulfinatoamino)but-1-ene is sourced from PubChem (CID 175175709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).