1-(4-propylpiperidin-1-yl)propane-2-sulfinate

C11H22NO2S- — CID 174657453

IUPAC1-(4-propylpiperidin-1-yl)propane-2-sulfinate
SMILESCCCC1CCN(CC(C)S(=O)[O-])CC1
InChIInChI=1S/C11H23NO2S/c1-3-4-11-5-7-12(8-6-11)9-10(2)15(13)14/h10-11H,3-9H2,1-2H3,(H,13,14)/p-1
InChIKeyQHVIJBBSOBIYDH-UHFFFAOYSA-M
MW232.37 g/mol
LogP1.77
Rot. Bonds5

About 1-(4-propylpiperidin-1-yl)propane-2-sulfinate

1-(4-propylpiperidin-1-yl)propane-2-sulfinate (PubChem CID 174657453) has the molecular formula C11H22NO2S- and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(4-propylpiperidin-1-yl)propane-2-sulfinate.

Molecular Properties

Compound Name1-(4-propylpiperidin-1-yl)propane-2-sulfinate
PubChem CID174657453
Molecular FormulaC11H22NO2S-
Molecular Weight232.37 g/mol
Exact Mass232.14
IUPAC Name1-(4-propylpiperidin-1-yl)propane-2-sulfinate
SMILESCCCC1CCN(CC(C)S(=O)[O-])CC1
InChIInChI=1S/C11H23NO2S/c1-3-4-11-5-7-12(8-6-11)9-10(2)15(13)14/h10-11H,3-9H2,1-2H3,(H,13,14)/p-1
InChIKeyQHVIJBBSOBIYDH-UHFFFAOYSA-M
XLogP1.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.77
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

1-(4-propylpiperidin-1-yl)propane-2-sulfinic acid
CID 174657454
3-(4-propylpiperidin-1-yl)propane-1-sulfinate
CID 174406890
1-(2,2-difluoroethyl)-4-propylpiperidine
CID 89323946
1-amino-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 62200170
3-methyl-4-(4-propylpiperidin-1-yl)butan-1-amine
CID 80544082
3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-ol
CID 62205780
1-(2,2-diethoxyethyl)-4-propylpiperidine
CID 63617165
1-(3-methylpiperidin-1-yl)propane-2-sulfinate
CID 174657450
2-methyl-3-(4-propylpiperidin-1-yl)propanethioamide
CID 62199637
1,1,1-trifluoro-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 63902467
6-methyl-7-(4-propylpiperidin-1-yl)heptan-2-amine
CID 65295732
1-cyclopentyl-2-(4-propylpiperidin-1-yl)ethanol
CID 104752787

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylpiperidin-1-yl)propane-2-sulfinate?
The IUPAC name of 1-(4-propylpiperidin-1-yl)propane-2-sulfinate (CID 174657453) is 1-(4-propylpiperidin-1-yl)propane-2-sulfinate.
What is the SMILES notation for 1-(4-propylpiperidin-1-yl)propane-2-sulfinate?
The canonical SMILES for 1-(4-propylpiperidin-1-yl)propane-2-sulfinate is CCCC1CCN(CC(C)S(=O)[O-])CC1.
What is the InChIKey of 1-(4-propylpiperidin-1-yl)propane-2-sulfinate?
The InChIKey is QHVIJBBSOBIYDH-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H23NO2S/c1-3-4-11-5-7-12(8-6-11)9-10(2)15(13)14/h10-11H,3-9H2,1-2H3,(H,13,14)/p-1.
What are the key properties of 1-(4-propylpiperidin-1-yl)propane-2-sulfinate?
1-(4-propylpiperidin-1-yl)propane-2-sulfinate has a molecular weight of 232.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylpiperidin-1-yl)propane-2-sulfinate is sourced from PubChem (CID 174657453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).