(3R)-3-aminopiperidine-1-sulfinate

C5H11N2O2S- — CID 134503902

IUPAC(3R)-3-aminopiperidine-1-sulfinate
SMILESN[C@@H]1CCCN(S(=O)[O-])C1
InChIInChI=1S/C5H12N2O2S/c6-5-2-1-3-7(4-5)10(8)9/h5H,1-4,6H2,(H,8,9)/p-1/t5-/m1/s1
InChIKeyQCMIDFBYPAFFAB-RXMQYKEDSA-M
MW163.22 g/mol
LogP-0.80
Rot. Bonds1

About (3R)-3-aminopiperidine-1-sulfinate

(3R)-3-aminopiperidine-1-sulfinate (PubChem CID 134503902) has the molecular formula C5H11N2O2S- and a molecular weight of 163.22 g/mol. Its IUPAC name is (3R)-3-aminopiperidine-1-sulfinate.

Molecular Properties

Compound Name(3R)-3-aminopiperidine-1-sulfinate
PubChem CID134503902
Molecular FormulaC5H11N2O2S-
Molecular Weight163.22 g/mol
Exact Mass163.05
IUPAC Name(3R)-3-aminopiperidine-1-sulfinate
SMILESN[C@@H]1CCCN(S(=O)[O-])C1
InChIInChI=1S/C5H12N2O2S/c6-5-2-1-3-7(4-5)10(8)9/h5H,1-4,6H2,(H,8,9)/p-1/t5-/m1/s1
InChIKeyQCMIDFBYPAFFAB-RXMQYKEDSA-M
XLogP-0.80
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methylpiperidine-1-sulfinate
CID 59679552
(3-aminopiperidin-1-yl)methanesulfinate
CID 174645324
1-(3-aminopiperidin-1-yl)piperidin-3-amine
CID 174794184
1-[(3R)-3-aminopiperidin-1-yl]piperidin-3-amine
CID 174874713
(3R)-1-cyclopropylsulfonylpiperidin-3-amine
CID 95378411
(3R)-3-aminopiperidine-1-sulfonamide
CID 102984338
1-(4-methylpentan-2-yl)piperidin-3-amine
CID 61295686
2-(3-aminopiperidin-1-yl)ethanol
CID 61296854
(3-aminopiperidin-1-yl)-pyrrolidin-1-ylmethanone
CID 79161440
3-aminopiperidine-1-carboxamide;hydrochloride
CID 141463917
1-cyclobutylpiperidin-3-amine
CID 63935163
1-(1,2,2-trifluoroethyl)piperidin-3-amine;dihydrochloride
CID 175596076

Frequently Asked Questions

What is the IUPAC name of (3R)-3-aminopiperidine-1-sulfinate?
The IUPAC name of (3R)-3-aminopiperidine-1-sulfinate (CID 134503902) is (3R)-3-aminopiperidine-1-sulfinate.
What is the SMILES notation for (3R)-3-aminopiperidine-1-sulfinate?
The canonical SMILES for (3R)-3-aminopiperidine-1-sulfinate is N[C@@H]1CCCN(S(=O)[O-])C1.
What is the InChIKey of (3R)-3-aminopiperidine-1-sulfinate?
The InChIKey is QCMIDFBYPAFFAB-RXMQYKEDSA-M. The full InChI is InChI=1S/C5H12N2O2S/c6-5-2-1-3-7(4-5)10(8)9/h5H,1-4,6H2,(H,8,9)/p-1/t5-/m1/s1.
What are the key properties of (3R)-3-aminopiperidine-1-sulfinate?
(3R)-3-aminopiperidine-1-sulfinate has a molecular weight of 163.22 g/mol, XLogP of -0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-aminopiperidine-1-sulfinate is sourced from PubChem (CID 134503902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).