2-(azetidin-3-yl)propane-2-sulfinate

C6H12NO2S- — CID 58348273

IUPAC2-(azetidin-3-yl)propane-2-sulfinate
SMILESCC(C)(C1CNC1)S(=O)[O-]
InChIInChI=1S/C6H13NO2S/c1-6(2,10(8)9)5-3-7-4-5/h5,7H,3-4H2,1-2H3,(H,8,9)/p-1
InChIKeyYLWNTMMCELTTRF-UHFFFAOYSA-M
MW162.23 g/mol
LogP-0.14
Rot. Bonds2

About 2-(azetidin-3-yl)propane-2-sulfinate

2-(azetidin-3-yl)propane-2-sulfinate (PubChem CID 58348273) has the molecular formula C6H12NO2S- and a molecular weight of 162.23 g/mol. Its IUPAC name is 2-(azetidin-3-yl)propane-2-sulfinate.

Molecular Properties

Compound Name2-(azetidin-3-yl)propane-2-sulfinate
PubChem CID58348273
Molecular FormulaC6H12NO2S-
Molecular Weight162.23 g/mol
Exact Mass162.06
IUPAC Name2-(azetidin-3-yl)propane-2-sulfinate
SMILESCC(C)(C1CNC1)S(=O)[O-]
InChIInChI=1S/C6H13NO2S/c1-6(2,10(8)9)5-3-7-4-5/h5,7H,3-4H2,1-2H3,(H,8,9)/p-1
InChIKeyYLWNTMMCELTTRF-UHFFFAOYSA-M
XLogP-0.14
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 5-0.14
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-(azetidin-3-yl)propane-2-sulfinate?
The IUPAC name of 2-(azetidin-3-yl)propane-2-sulfinate (CID 58348273) is 2-(azetidin-3-yl)propane-2-sulfinate.
What is the SMILES notation for 2-(azetidin-3-yl)propane-2-sulfinate?
The canonical SMILES for 2-(azetidin-3-yl)propane-2-sulfinate is CC(C)(C1CNC1)S(=O)[O-].
What is the InChIKey of 2-(azetidin-3-yl)propane-2-sulfinate?
The InChIKey is YLWNTMMCELTTRF-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13NO2S/c1-6(2,10(8)9)5-3-7-4-5/h5,7H,3-4H2,1-2H3,(H,8,9)/p-1.
What are the key properties of 2-(azetidin-3-yl)propane-2-sulfinate?
2-(azetidin-3-yl)propane-2-sulfinate has a molecular weight of 162.23 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)propane-2-sulfinate is sourced from PubChem (CID 58348273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).