[(3S)-3-aminopyrrolidin-1-yl]methanesulfinic acid

C5H12N2O2S — CID 174569351

IUPAC[(3S)-3-aminopyrrolidin-1-yl]methanesulfinic acid
SMILESN[C@H]1CCN(CS(=O)O)C1
InChIInChI=1S/C5H12N2O2S/c6-5-1-2-7(3-5)4-10(8)9/h5H,1-4,6H2,(H,8,9)/t5-/m0/s1
InChIKeyGVEMVHJBAGUYPW-YFKPBYRVSA-N
MW164.23 g/mol
LogP-0.80
Rot. Bonds2

About [(3S)-3-aminopyrrolidin-1-yl]methanesulfinic acid

[(3S)-3-aminopyrrolidin-1-yl]methanesulfinic acid (PubChem CID 174569351) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is [(3S)-3-aminopyrrolidin-1-yl]methanesulfinic acid.

Molecular Properties

Compound Name[(3S)-3-aminopyrrolidin-1-yl]methanesulfinic acid
PubChem CID174569351
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name[(3S)-3-aminopyrrolidin-1-yl]methanesulfinic acid
SMILESN[C@H]1CCN(CS(=O)O)C1
InChIInChI=1S/C5H12N2O2S/c6-5-1-2-7(3-5)4-10(8)9/h5H,1-4,6H2,(H,8,9)/t5-/m0/s1
InChIKeyGVEMVHJBAGUYPW-YFKPBYRVSA-N
XLogP-0.80
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-aminopiperidin-1-yl)methanesulfinate
CID 174645324
(3S)-1-ethylpyrrolidin-3-amine
CID 10678211
2-(3-aminopyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 62068636
2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 94340668
4-(3-aminopyrrolidin-1-yl)butanoic acid
CID 62069212
methyl 2-[(3S)-3-aminopyrrolidin-1-yl]acetate
CID 94340238
2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide
CID 94340497
1-(3-aminopyrrolidin-1-yl)-3-methylbutan-2-one
CID 79395094
(2S)-1-(3-aminopyrrolidin-1-yl)propan-2-ol
CID 103840761
1-prop-2-ynylpyrrolidin-3-amine
CID 60861470
2-(3-aminopyrrolidin-1-yl)-N-cyclopropylacetamide
CID 62067111
2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylacetamide
CID 115302487

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]methanesulfinic acid?
The IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]methanesulfinic acid (CID 174569351) is [(3S)-3-aminopyrrolidin-1-yl]methanesulfinic acid.
What is the SMILES notation for [(3S)-3-aminopyrrolidin-1-yl]methanesulfinic acid?
The canonical SMILES for [(3S)-3-aminopyrrolidin-1-yl]methanesulfinic acid is N[C@H]1CCN(CS(=O)O)C1.
What is the InChIKey of [(3S)-3-aminopyrrolidin-1-yl]methanesulfinic acid?
The InChIKey is GVEMVHJBAGUYPW-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H12N2O2S/c6-5-1-2-7(3-5)4-10(8)9/h5H,1-4,6H2,(H,8,9)/t5-/m0/s1.
What are the key properties of [(3S)-3-aminopyrrolidin-1-yl]methanesulfinic acid?
[(3S)-3-aminopyrrolidin-1-yl]methanesulfinic acid has a molecular weight of 164.23 g/mol, XLogP of -0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-aminopyrrolidin-1-yl]methanesulfinic acid is sourced from PubChem (CID 174569351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).