(3S)-3-methylpyrrolidine-1-sulfinate

C5H10NO2S- — CID 89076766

IUPAC(3S)-3-methylpyrrolidine-1-sulfinate
SMILESC[C@H]1CCN(S(=O)[O-])C1
InChIInChI=1S/C5H11NO2S/c1-5-2-3-6(4-5)9(7)8/h5H,2-4H2,1H3,(H,7,8)/p-1/t5-/m0/s1
InChIKeyQDXAKFGVLYSNHI-YFKPBYRVSA-M
MW148.21 g/mol
LogP0.12
Rot. Bonds1

About (3S)-3-methylpyrrolidine-1-sulfinate

(3S)-3-methylpyrrolidine-1-sulfinate (PubChem CID 89076766) has the molecular formula C5H10NO2S- and a molecular weight of 148.21 g/mol. Its IUPAC name is (3S)-3-methylpyrrolidine-1-sulfinate.

Molecular Properties

Compound Name(3S)-3-methylpyrrolidine-1-sulfinate
PubChem CID89076766
Molecular FormulaC5H10NO2S-
Molecular Weight148.21 g/mol
Exact Mass148.04
IUPAC Name(3S)-3-methylpyrrolidine-1-sulfinate
SMILESC[C@H]1CCN(S(=O)[O-])C1
InChIInChI=1S/C5H11NO2S/c1-5-2-3-6(4-5)9(7)8/h5H,2-4H2,1H3,(H,7,8)/p-1/t5-/m0/s1
InChIKeyQDXAKFGVLYSNHI-YFKPBYRVSA-M
XLogP0.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S)-3-methylpyrrolidine-1-sulfinate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methylpyrrolidine-1-sulfinate?
The IUPAC name of (3S)-3-methylpyrrolidine-1-sulfinate (CID 89076766) is (3S)-3-methylpyrrolidine-1-sulfinate.
What is the SMILES notation for (3S)-3-methylpyrrolidine-1-sulfinate?
The canonical SMILES for (3S)-3-methylpyrrolidine-1-sulfinate is C[C@H]1CCN(S(=O)[O-])C1.
What is the InChIKey of (3S)-3-methylpyrrolidine-1-sulfinate?
The InChIKey is QDXAKFGVLYSNHI-YFKPBYRVSA-M. The full InChI is InChI=1S/C5H11NO2S/c1-5-2-3-6(4-5)9(7)8/h5H,2-4H2,1H3,(H,7,8)/p-1/t5-/m0/s1.
What are the key properties of (3S)-3-methylpyrrolidine-1-sulfinate?
(3S)-3-methylpyrrolidine-1-sulfinate has a molecular weight of 148.21 g/mol, XLogP of 0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methylpyrrolidine-1-sulfinate is sourced from PubChem (CID 89076766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).