4-methoxypiperidine-1-sulfinate

C6H12NO3S- — CID 66960147

IUPAC4-methoxypiperidine-1-sulfinate
SMILESCOC1CCN(S(=O)[O-])CC1
InChIInChI=1S/C6H13NO3S/c1-10-6-2-4-7(5-3-6)11(8)9/h6H,2-5H2,1H3,(H,8,9)/p-1
InChIKeyAMTIMIBSHGOUAS-UHFFFAOYSA-M
MW178.23 g/mol
LogP-0.11
Rot. Bonds2

About 4-methoxypiperidine-1-sulfinate

4-methoxypiperidine-1-sulfinate (PubChem CID 66960147) has the molecular formula C6H12NO3S- and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-methoxypiperidine-1-sulfinate.

Molecular Properties

Compound Name4-methoxypiperidine-1-sulfinate
PubChem CID66960147
Molecular FormulaC6H12NO3S-
Molecular Weight178.23 g/mol
Exact Mass178.05
IUPAC Name4-methoxypiperidine-1-sulfinate
SMILESCOC1CCN(S(=O)[O-])CC1
InChIInChI=1S/C6H13NO3S/c1-10-6-2-4-7(5-3-6)11(8)9/h6H,2-5H2,1H3,(H,8,9)/p-1
InChIKeyAMTIMIBSHGOUAS-UHFFFAOYSA-M
XLogP-0.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-3-fluoro-1-(methoxymethyl)-4-sulfanyloxypiperidine
CID 156329355
4-Methoxy-1-(methylsulfonyl)piperidine
CID 5136335
4-Methoxypiperidine-1-sulfonyl fluoride
CID 135564433
4-Methoxy-1-oxidopiperidine
CID 6374006
3,6-Dimethyloxathiazinane 2,2-dioxide
CID 20676245
4-Methoxy-1-methylpiperidine
CID 22082857
4-Methoxypiperidine-1-sulfonyl chloride
CID 22276816
4-Methoxypiperidine-1-sulfonamide
CID 43244070
CID 58450387
CID 58450387
1,4-Dimethoxypiperidine
CID 58777536
Propan-2-yl piperidine-1-sulfonate
CID 58928967
CID 58998042
CID 58998042

Frequently Asked Questions

What is the IUPAC name of 4-methoxypiperidine-1-sulfinate?
The IUPAC name of 4-methoxypiperidine-1-sulfinate (CID 66960147) is 4-methoxypiperidine-1-sulfinate.
What is the SMILES notation for 4-methoxypiperidine-1-sulfinate?
The canonical SMILES for 4-methoxypiperidine-1-sulfinate is COC1CCN(S(=O)[O-])CC1.
What is the InChIKey of 4-methoxypiperidine-1-sulfinate?
The InChIKey is AMTIMIBSHGOUAS-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13NO3S/c1-10-6-2-4-7(5-3-6)11(8)9/h6H,2-5H2,1H3,(H,8,9)/p-1.
What are the key properties of 4-methoxypiperidine-1-sulfinate?
4-methoxypiperidine-1-sulfinate has a molecular weight of 178.23 g/mol, XLogP of -0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxypiperidine-1-sulfinate is sourced from PubChem (CID 66960147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).