2-(sulfinatoamino)ethylcyclopropane

C5H10NO2S- — CID 68539365

IUPAC2-(sulfinatoamino)ethylcyclopropane
SMILESO=S([O-])NCCC1CC1
InChIInChI=1S/C5H11NO2S/c7-9(8)6-4-3-5-1-2-5/h5-6H,1-4H2,(H,7,8)/p-1
InChIKeyPGVZXBIVTGIADL-UHFFFAOYSA-M
MW148.21 g/mol
LogP0.17
Rot. Bonds4

About 2-(sulfinatoamino)ethylcyclopropane

2-(sulfinatoamino)ethylcyclopropane (PubChem CID 68539365) has the molecular formula C5H10NO2S- and a molecular weight of 148.21 g/mol. Its IUPAC name is 2-(sulfinatoamino)ethylcyclopropane.

Molecular Properties

Compound Name2-(sulfinatoamino)ethylcyclopropane
PubChem CID68539365
Molecular FormulaC5H10NO2S-
Molecular Weight148.21 g/mol
Exact Mass148.04
IUPAC Name2-(sulfinatoamino)ethylcyclopropane
SMILESO=S([O-])NCCC1CC1
InChIInChI=1S/C5H11NO2S/c7-9(8)6-4-3-5-1-2-5/h5-6H,1-4H2,(H,7,8)/p-1
InChIKeyPGVZXBIVTGIADL-UHFFFAOYSA-M
XLogP0.17
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 2-(sulfinatoamino)ethylcyclopropane?
The IUPAC name of 2-(sulfinatoamino)ethylcyclopropane (CID 68539365) is 2-(sulfinatoamino)ethylcyclopropane.
What is the SMILES notation for 2-(sulfinatoamino)ethylcyclopropane?
The canonical SMILES for 2-(sulfinatoamino)ethylcyclopropane is O=S([O-])NCCC1CC1.
What is the InChIKey of 2-(sulfinatoamino)ethylcyclopropane?
The InChIKey is PGVZXBIVTGIADL-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11NO2S/c7-9(8)6-4-3-5-1-2-5/h5-6H,1-4H2,(H,7,8)/p-1.
What are the key properties of 2-(sulfinatoamino)ethylcyclopropane?
2-(sulfinatoamino)ethylcyclopropane has a molecular weight of 148.21 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfinatoamino)ethylcyclopropane is sourced from PubChem (CID 68539365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).