2-(sulfinatoamino)oxolane

C4H8NO3S- — CID 57299941

IUPAC2-(sulfinatoamino)oxolane
SMILESO=S([O-])NC1CCCO1
InChIInChI=1S/C4H9NO3S/c6-9(7)5-4-2-1-3-8-4/h4-5H,1-3H2,(H,6,7)/p-1
InChIKeyYVXNOEQSVAXRRX-UHFFFAOYSA-M
MW150.18 g/mol
LogP-0.49
Rot. Bonds2

About 2-(sulfinatoamino)oxolane

2-(sulfinatoamino)oxolane (PubChem CID 57299941) has the molecular formula C4H8NO3S- and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-(sulfinatoamino)oxolane.

Molecular Properties

Compound Name2-(sulfinatoamino)oxolane
PubChem CID57299941
Molecular FormulaC4H8NO3S-
Molecular Weight150.18 g/mol
Exact Mass150.02
IUPAC Name2-(sulfinatoamino)oxolane
SMILESO=S([O-])NC1CCCO1
InChIInChI=1S/C4H9NO3S/c6-9(7)5-4-2-1-3-8-4/h4-5H,1-3H2,(H,6,7)/p-1
InChIKeyYVXNOEQSVAXRRX-UHFFFAOYSA-M
XLogP-0.49
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)oxolane?
The IUPAC name of 2-(sulfinatoamino)oxolane (CID 57299941) is 2-(sulfinatoamino)oxolane.
What is the SMILES notation for 2-(sulfinatoamino)oxolane?
The canonical SMILES for 2-(sulfinatoamino)oxolane is O=S([O-])NC1CCCO1.
What is the InChIKey of 2-(sulfinatoamino)oxolane?
The InChIKey is YVXNOEQSVAXRRX-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9NO3S/c6-9(7)5-4-2-1-3-8-4/h4-5H,1-3H2,(H,6,7)/p-1.
What are the key properties of 2-(sulfinatoamino)oxolane?
2-(sulfinatoamino)oxolane has a molecular weight of 150.18 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfinatoamino)oxolane is sourced from PubChem (CID 57299941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).