3-(4-ethylpiperidin-1-yl)propane-1-sulfinate

C10H20NO2S- — CID 174398468

IUPAC3-(4-ethylpiperidin-1-yl)propane-1-sulfinate
SMILESCCC1CCN(CCCS(=O)[O-])CC1
InChIInChI=1S/C10H21NO2S/c1-2-10-4-7-11(8-5-10)6-3-9-14(12)13/h10H,2-9H2,1H3,(H,12,13)/p-1
InChIKeyRGSOLDTZPZBVNF-UHFFFAOYSA-M
MW218.34 g/mol
LogP1.38
Rot. Bonds5

About 3-(4-ethylpiperidin-1-yl)propane-1-sulfinate

3-(4-ethylpiperidin-1-yl)propane-1-sulfinate (PubChem CID 174398468) has the molecular formula C10H20NO2S- and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-(4-ethylpiperidin-1-yl)propane-1-sulfinate.

Molecular Properties

Compound Name3-(4-ethylpiperidin-1-yl)propane-1-sulfinate
PubChem CID174398468
Molecular FormulaC10H20NO2S-
Molecular Weight218.34 g/mol
Exact Mass218.12
IUPAC Name3-(4-ethylpiperidin-1-yl)propane-1-sulfinate
SMILESCCC1CCN(CCCS(=O)[O-])CC1
InChIInChI=1S/C10H21NO2S/c1-2-10-4-7-11(8-5-10)6-3-9-14(12)13/h10H,2-9H2,1H3,(H,12,13)/p-1
InChIKeyRGSOLDTZPZBVNF-UHFFFAOYSA-M
XLogP1.38
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.38
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

3-(4-propylpiperidin-1-yl)propane-1-sulfinate
CID 174406890
3-(4-methylpiperidin-1-yl)propane-1-sulfinate
CID 174398466
3-(4-aminopiperidin-1-yl)propane-1-sulfinate
CID 84674665
acetic acid;4-ethyl-1-hexylpiperidine
CID 175583898
acetic acid;1-dodecyl-4-ethylpiperidine
CID 175583863
4-ethyl-1-hexylpiperidine;formonitrile
CID 175874680
ethane;4-ethyl-1-(2-methoxyethyl)piperidine
CID 177021605
ethane;2-(4-ethylpiperidin-1-yl)ethanol
CID 143029211
5-(4-ethylpiperidin-1-yl)pentanehydrazide
CID 63578403
4-(4-ethylpiperidin-1-yl)butan-2-one
CID 20686954
N-[4-(4-ethylpiperidin-1-yl)butyl]cyclopropanamine
CID 62412900
6-(4-ethylpiperidin-1-yl)hexan-3-amine
CID 106799490

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperidin-1-yl)propane-1-sulfinate?
The IUPAC name of 3-(4-ethylpiperidin-1-yl)propane-1-sulfinate (CID 174398468) is 3-(4-ethylpiperidin-1-yl)propane-1-sulfinate.
What is the SMILES notation for 3-(4-ethylpiperidin-1-yl)propane-1-sulfinate?
The canonical SMILES for 3-(4-ethylpiperidin-1-yl)propane-1-sulfinate is CCC1CCN(CCCS(=O)[O-])CC1.
What is the InChIKey of 3-(4-ethylpiperidin-1-yl)propane-1-sulfinate?
The InChIKey is RGSOLDTZPZBVNF-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H21NO2S/c1-2-10-4-7-11(8-5-10)6-3-9-14(12)13/h10H,2-9H2,1H3,(H,12,13)/p-1.
What are the key properties of 3-(4-ethylpiperidin-1-yl)propane-1-sulfinate?
3-(4-ethylpiperidin-1-yl)propane-1-sulfinate has a molecular weight of 218.34 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperidin-1-yl)propane-1-sulfinate is sourced from PubChem (CID 174398468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).