3-hydroxy-3-methylpyrrolidine-1-sulfinic acid

C5H11NO3S — CID 90390819

IUPAC3-hydroxy-3-methylpyrrolidine-1-sulfinic acid
SMILESCC1(O)CCN(S(=O)O)C1
InChIInChI=1S/C5H11NO3S/c1-5(7)2-3-6(4-5)10(8)9/h7H,2-4H2,1H3,(H,8,9)
InChIKeyZPORPHSAPYMNRP-UHFFFAOYSA-N
MW165.21 g/mol
LogP-0.42
Rot. Bonds1

About 3-hydroxy-3-methylpyrrolidine-1-sulfinic acid

3-hydroxy-3-methylpyrrolidine-1-sulfinic acid (PubChem CID 90390819) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is 3-hydroxy-3-methylpyrrolidine-1-sulfinic acid.

Molecular Properties

Compound Name3-hydroxy-3-methylpyrrolidine-1-sulfinic acid
PubChem CID90390819
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Name3-hydroxy-3-methylpyrrolidine-1-sulfinic acid
SMILESCC1(O)CCN(S(=O)O)C1
InChIInChI=1S/C5H11NO3S/c1-5(7)2-3-6(4-5)10(8)9/h7H,2-4H2,1H3,(H,8,9)
InChIKeyZPORPHSAPYMNRP-UHFFFAOYSA-N
XLogP-0.42
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
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 3-hydroxy-3-methylpyrrolidine-1-sulfinic acid?
The IUPAC name of 3-hydroxy-3-methylpyrrolidine-1-sulfinic acid (CID 90390819) is 3-hydroxy-3-methylpyrrolidine-1-sulfinic acid.
What is the SMILES notation for 3-hydroxy-3-methylpyrrolidine-1-sulfinic acid?
The canonical SMILES for 3-hydroxy-3-methylpyrrolidine-1-sulfinic acid is CC1(O)CCN(S(=O)O)C1.
What is the InChIKey of 3-hydroxy-3-methylpyrrolidine-1-sulfinic acid?
The InChIKey is ZPORPHSAPYMNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S/c1-5(7)2-3-6(4-5)10(8)9/h7H,2-4H2,1H3,(H,8,9).
What are the key properties of 3-hydroxy-3-methylpyrrolidine-1-sulfinic acid?
3-hydroxy-3-methylpyrrolidine-1-sulfinic acid has a molecular weight of 165.21 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methylpyrrolidine-1-sulfinic acid is sourced from PubChem (CID 90390819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).