(2S)-2-(sulfinatocarbamoyl)pyrrolidine

C5H9N2O3S- — CID 69144753

IUPAC(2S)-2-(sulfinatocarbamoyl)pyrrolidine
SMILESO=C(NS(=O)[O-])[C@@H]1CCCN1
InChIInChI=1S/C5H10N2O3S/c8-5(7-11(9)10)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)(H,9,10)/p-1/t4-/m0/s1
InChIKeyWYVXQACXKIMLNK-BYPYZUCNSA-M
MW177.20 g/mol
LogP-1.35
Rot. Bonds2

About (2S)-2-(sulfinatocarbamoyl)pyrrolidine

(2S)-2-(sulfinatocarbamoyl)pyrrolidine (PubChem CID 69144753) has the molecular formula C5H9N2O3S- and a molecular weight of 177.20 g/mol. Its IUPAC name is (2S)-2-(sulfinatocarbamoyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(sulfinatocarbamoyl)pyrrolidine
PubChem CID69144753
Molecular FormulaC5H9N2O3S-
Molecular Weight177.20 g/mol
Exact Mass177.03
IUPAC Name(2S)-2-(sulfinatocarbamoyl)pyrrolidine
SMILESO=C(NS(=O)[O-])[C@@H]1CCCN1
InChIInChI=1S/C5H10N2O3S/c8-5(7-11(9)10)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)(H,9,10)/p-1/t4-/m0/s1
InChIKeyWYVXQACXKIMLNK-BYPYZUCNSA-M
XLogP-1.35
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (2S)-2-(sulfinatocarbamoyl)pyrrolidine?
The IUPAC name of (2S)-2-(sulfinatocarbamoyl)pyrrolidine (CID 69144753) is (2S)-2-(sulfinatocarbamoyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(sulfinatocarbamoyl)pyrrolidine?
The canonical SMILES for (2S)-2-(sulfinatocarbamoyl)pyrrolidine is O=C(NS(=O)[O-])[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(sulfinatocarbamoyl)pyrrolidine?
The InChIKey is WYVXQACXKIMLNK-BYPYZUCNSA-M. The full InChI is InChI=1S/C5H10N2O3S/c8-5(7-11(9)10)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)(H,9,10)/p-1/t4-/m0/s1.
What are the key properties of (2S)-2-(sulfinatocarbamoyl)pyrrolidine?
(2S)-2-(sulfinatocarbamoyl)pyrrolidine has a molecular weight of 177.20 g/mol, XLogP of -1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(sulfinatocarbamoyl)pyrrolidine is sourced from PubChem (CID 69144753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).