(2S)-2-(sulfinatocarbamothioyl)pyrrolidine

C5H9N2O2S2- — CID 90049852

IUPAC(2S)-2-(sulfinatocarbamothioyl)pyrrolidine
SMILESO=S([O-])NC(=S)[C@@H]1CCCN1
InChIInChI=1S/C5H10N2O2S2/c8-11(9)7-5(10)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,10)(H,8,9)/p-1/t4-/m0/s1
InChIKeyJKYSSOJPRZAZHQ-BYPYZUCNSA-M
MW193.27 g/mol
LogP-0.55
Rot. Bonds2

About (2S)-2-(sulfinatocarbamothioyl)pyrrolidine

(2S)-2-(sulfinatocarbamothioyl)pyrrolidine (PubChem CID 90049852) has the molecular formula C5H9N2O2S2- and a molecular weight of 193.27 g/mol. Its IUPAC name is (2S)-2-(sulfinatocarbamothioyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(sulfinatocarbamothioyl)pyrrolidine
PubChem CID90049852
Molecular FormulaC5H9N2O2S2-
Molecular Weight193.27 g/mol
Exact Mass193.01
IUPAC Name(2S)-2-(sulfinatocarbamothioyl)pyrrolidine
SMILESO=S([O-])NC(=S)[C@@H]1CCCN1
InChIInChI=1S/C5H10N2O2S2/c8-11(9)7-5(10)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,10)(H,8,9)/p-1/t4-/m0/s1
InChIKeyJKYSSOJPRZAZHQ-BYPYZUCNSA-M
XLogP-0.55
TPSA64.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(sulfinatocarbamothioyl)pyrrolidine?
The IUPAC name of (2S)-2-(sulfinatocarbamothioyl)pyrrolidine (CID 90049852) is (2S)-2-(sulfinatocarbamothioyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(sulfinatocarbamothioyl)pyrrolidine?
The canonical SMILES for (2S)-2-(sulfinatocarbamothioyl)pyrrolidine is O=S([O-])NC(=S)[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(sulfinatocarbamothioyl)pyrrolidine?
The InChIKey is JKYSSOJPRZAZHQ-BYPYZUCNSA-M. The full InChI is InChI=1S/C5H10N2O2S2/c8-11(9)7-5(10)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,10)(H,8,9)/p-1/t4-/m0/s1.
What are the key properties of (2S)-2-(sulfinatocarbamothioyl)pyrrolidine?
(2S)-2-(sulfinatocarbamothioyl)pyrrolidine has a molecular weight of 193.27 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(sulfinatocarbamothioyl)pyrrolidine is sourced from PubChem (CID 90049852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).