3-piperidin-3-ylpropane-1-sulfinate

C8H16NO2S- — CID 139343735

IUPAC3-piperidin-3-ylpropane-1-sulfinate
SMILESO=S([O-])CCCC1CCCNC1
InChIInChI=1S/C8H17NO2S/c10-12(11)6-2-4-8-3-1-5-9-7-8/h8-9H,1-7H2,(H,10,11)/p-1
InChIKeyIQMOUZXQFZPWBK-UHFFFAOYSA-M
MW190.29 g/mol
LogP0.65
Rot. Bonds4

About 3-piperidin-3-ylpropane-1-sulfinate

3-piperidin-3-ylpropane-1-sulfinate (PubChem CID 139343735) has the molecular formula C8H16NO2S- and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-piperidin-3-ylpropane-1-sulfinate.

Molecular Properties

Compound Name3-piperidin-3-ylpropane-1-sulfinate
PubChem CID139343735
Molecular FormulaC8H16NO2S-
Molecular Weight190.29 g/mol
Exact Mass190.09
IUPAC Name3-piperidin-3-ylpropane-1-sulfinate
SMILESO=S([O-])CCCC1CCCNC1
InChIInChI=1S/C8H17NO2S/c10-12(11)6-2-4-8-3-1-5-9-7-8/h8-9H,1-7H2,(H,10,11)/p-1
InChIKeyIQMOUZXQFZPWBK-UHFFFAOYSA-M
XLogP0.65
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 50.65
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-pyrrolidin-3-ylpropane-1-sulfinic acid
CID 67270019
(3S)-3-heptylpiperidine
CID 155456188
(3S)-3-(2-iodoethyl)piperidine
CID 97168699
N-(3-piperidin-3-ylpropyl)cyclobutanamine
CID 62416566
3-(4-azidobutyl)piperidine
CID 151564933
3-[3-(2-methoxyethoxy)propyl]piperidine
CID 103413398
2-piperidin-3-ylethanesulfonyl fluoride
CID 146049276
8-(3-piperidin-3-ylpropyl)-8-azaspiro[4.5]decane
CID 63161199
N-(cyclobutylmethyl)-N-methyl-3-piperidin-3-ylpropan-1-amine
CID 62861568
triethoxy(3-piperidin-3-ylpropyl)silane
CID 141175245
N,N,N'-trimethyl-N'-(3-piperidin-3-ylpropyl)propane-1,3-diamine
CID 63699039
3-(3-methylbutyl)piperidine
CID 53409753

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-ylpropane-1-sulfinate?
The IUPAC name of 3-piperidin-3-ylpropane-1-sulfinate (CID 139343735) is 3-piperidin-3-ylpropane-1-sulfinate.
What is the SMILES notation for 3-piperidin-3-ylpropane-1-sulfinate?
The canonical SMILES for 3-piperidin-3-ylpropane-1-sulfinate is O=S([O-])CCCC1CCCNC1.
What is the InChIKey of 3-piperidin-3-ylpropane-1-sulfinate?
The InChIKey is IQMOUZXQFZPWBK-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H17NO2S/c10-12(11)6-2-4-8-3-1-5-9-7-8/h8-9H,1-7H2,(H,10,11)/p-1.
What are the key properties of 3-piperidin-3-ylpropane-1-sulfinate?
3-piperidin-3-ylpropane-1-sulfinate has a molecular weight of 190.29 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-ylpropane-1-sulfinate is sourced from PubChem (CID 139343735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).