1-(sulfinatoamino)ethylcyclopropane

C5H10NO2S- — CID 57419754

IUPAC1-(sulfinatoamino)ethylcyclopropane
SMILESCC(NS(=O)[O-])C1CC1
InChIInChI=1S/C5H11NO2S/c1-4(5-2-3-5)6-9(7)8/h4-6H,2-3H2,1H3,(H,7,8)/p-1
InChIKeyGENSMVIUEHLSRZ-UHFFFAOYSA-M
MW148.21 g/mol
LogP0.17
Rot. Bonds3

About 1-(sulfinatoamino)ethylcyclopropane

1-(sulfinatoamino)ethylcyclopropane (PubChem CID 57419754) has the molecular formula C5H10NO2S- and a molecular weight of 148.21 g/mol. Its IUPAC name is 1-(sulfinatoamino)ethylcyclopropane.

Molecular Properties

Compound Name1-(sulfinatoamino)ethylcyclopropane
PubChem CID57419754
Molecular FormulaC5H10NO2S-
Molecular Weight148.21 g/mol
Exact Mass148.04
IUPAC Name1-(sulfinatoamino)ethylcyclopropane
SMILESCC(NS(=O)[O-])C1CC1
InChIInChI=1S/C5H11NO2S/c1-4(5-2-3-5)6-9(7)8/h4-6H,2-3H2,1H3,(H,7,8)/p-1
InChIKeyGENSMVIUEHLSRZ-UHFFFAOYSA-M
XLogP0.17
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 ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(sulfinatoamino)ethylcyclopropane?
The IUPAC name of 1-(sulfinatoamino)ethylcyclopropane (CID 57419754) is 1-(sulfinatoamino)ethylcyclopropane.
What is the SMILES notation for 1-(sulfinatoamino)ethylcyclopropane?
The canonical SMILES for 1-(sulfinatoamino)ethylcyclopropane is CC(NS(=O)[O-])C1CC1.
What is the InChIKey of 1-(sulfinatoamino)ethylcyclopropane?
The InChIKey is GENSMVIUEHLSRZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11NO2S/c1-4(5-2-3-5)6-9(7)8/h4-6H,2-3H2,1H3,(H,7,8)/p-1.
What are the key properties of 1-(sulfinatoamino)ethylcyclopropane?
1-(sulfinatoamino)ethylcyclopropane has a molecular weight of 148.21 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(sulfinatoamino)ethylcyclopropane is sourced from PubChem (CID 57419754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).