2-oxo-3-(sulfinoamino)pyrrolidine

C4H8N2O3S — CID 57421541

IUPAC2-oxo-3-(sulfinoamino)pyrrolidine
SMILESO=C1NCCC1NS(=O)O
InChIInChI=1S/C4H8N2O3S/c7-4-3(1-2-5-4)6-10(8)9/h3,6H,1-2H2,(H,5,7)(H,8,9)
InChIKeyMJVNZMAROPQDGA-UHFFFAOYSA-N
MW164.19 g/mol
LogP-1.40
Rot. Bonds2

About 2-oxo-3-(sulfinoamino)pyrrolidine

2-oxo-3-(sulfinoamino)pyrrolidine (PubChem CID 57421541) has the molecular formula C4H8N2O3S and a molecular weight of 164.19 g/mol. Its IUPAC name is 2-oxo-3-(sulfinoamino)pyrrolidine.

Molecular Properties

Compound Name2-oxo-3-(sulfinoamino)pyrrolidine
PubChem CID57421541
Molecular FormulaC4H8N2O3S
Molecular Weight164.19 g/mol
Exact Mass164.03
IUPAC Name2-oxo-3-(sulfinoamino)pyrrolidine
SMILESO=C1NCCC1NS(=O)O
InChIInChI=1S/C4H8N2O3S/c7-4-3(1-2-5-4)6-10(8)9/h3,6H,1-2H2,(H,5,7)(H,8,9)
InChIKeyMJVNZMAROPQDGA-UHFFFAOYSA-N
XLogP-1.40
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
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-oxo-3-(sulfinoamino)pyrrolidine?
The IUPAC name of 2-oxo-3-(sulfinoamino)pyrrolidine (CID 57421541) is 2-oxo-3-(sulfinoamino)pyrrolidine.
What is the SMILES notation for 2-oxo-3-(sulfinoamino)pyrrolidine?
The canonical SMILES for 2-oxo-3-(sulfinoamino)pyrrolidine is O=C1NCCC1NS(=O)O.
What is the InChIKey of 2-oxo-3-(sulfinoamino)pyrrolidine?
The InChIKey is MJVNZMAROPQDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3S/c7-4-3(1-2-5-4)6-10(8)9/h3,6H,1-2H2,(H,5,7)(H,8,9).
What are the key properties of 2-oxo-3-(sulfinoamino)pyrrolidine?
2-oxo-3-(sulfinoamino)pyrrolidine has a molecular weight of 164.19 g/mol, XLogP of -1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-(sulfinoamino)pyrrolidine is sourced from PubChem (CID 57421541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).