2-piperidin-1-ylethanesulfinic acid

C7H15NO2S — CID 59286125

IUPAC2-piperidin-1-ylethanesulfinic acid
SMILESO=S(O)CCN1CCCCC1
InChIInChI=1S/C7H15NO2S/c9-11(10)7-6-8-4-2-1-3-5-8/h1-7H2,(H,9,10)
InChIKeySZBSMBFFVCHAIU-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.69
Rot. Bonds3

About 2-piperidin-1-ylethanesulfinic acid

2-piperidin-1-ylethanesulfinic acid (PubChem CID 59286125) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-piperidin-1-ylethanesulfinic acid.

Molecular Properties

Compound Name2-piperidin-1-ylethanesulfinic acid
PubChem CID59286125
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name2-piperidin-1-ylethanesulfinic acid
SMILESO=S(O)CCN1CCCCC1
InChIInChI=1S/C7H15NO2S/c9-11(10)7-6-8-4-2-1-3-5-8/h1-7H2,(H,9,10)
InChIKeySZBSMBFFVCHAIU-UHFFFAOYSA-N
XLogP0.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-piperidin-1-ylethanesulfinic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-(1,4-diazepan-1-yl)ethanesulfinic acid
CID 84664343
1-(2-methylsulfinylethyl)piperidine
CID 66695248
2-pyrrolidin-1-ylethyl hydrogen sulfite
CID 174831724
1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806
bis(2-piperidin-1-ylethanol);dihydroiodide
CID 175097300
ethane-1,2-disulfinic acid
CID 15180980
1-(3-methylsulfinylpropyl)pyrrolidine
CID 154648174
3-methyl-2-(2-pyrrolidin-1-ylethylsulfinyl)butanoic acid
CID 107913267
1-[2-(benzenesulfinyl)ethyl]azepane;hydrochloride
CID 3053263
1,6-dipyrrolidin-1-ylhexane-3,4-dione
CID 3628395
methanol;1-propylpiperidine
CID 171515121
1,3-bis(azepan-1-yl)propan-1-one
CID 109033498

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethanesulfinic acid?
The IUPAC name of 2-piperidin-1-ylethanesulfinic acid (CID 59286125) is 2-piperidin-1-ylethanesulfinic acid.
What is the SMILES notation for 2-piperidin-1-ylethanesulfinic acid?
The canonical SMILES for 2-piperidin-1-ylethanesulfinic acid is O=S(O)CCN1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylethanesulfinic acid?
The InChIKey is SZBSMBFFVCHAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c9-11(10)7-6-8-4-2-1-3-5-8/h1-7H2,(H,9,10).
What are the key properties of 2-piperidin-1-ylethanesulfinic acid?
2-piperidin-1-ylethanesulfinic acid has a molecular weight of 177.27 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethanesulfinic acid is sourced from PubChem (CID 59286125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).