1-(4-propylpiperidin-1-yl)propane-2-sulfinic acid

C11H23NO2S — CID 174657454

IUPAC1-(4-propylpiperidin-1-yl)propane-2-sulfinic acid
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)
InChIKeyQHVIJBBSOBIYDH-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.11
Rot. Bonds5

About 1-(4-propylpiperidin-1-yl)propane-2-sulfinic acid

1-(4-propylpiperidin-1-yl)propane-2-sulfinic acid (PubChem CID 174657454) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-(4-propylpiperidin-1-yl)propane-2-sulfinic acid.

Molecular Properties

Compound Name1-(4-propylpiperidin-1-yl)propane-2-sulfinic acid
PubChem CID174657454
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name1-(4-propylpiperidin-1-yl)propane-2-sulfinic acid
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)
InChIKeyQHVIJBBSOBIYDH-UHFFFAOYSA-N
XLogP2.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-sulfinate
CID 174657453
1-(2,2-difluoroethyl)-4-propylpiperidine
CID 89323946
3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-ol
CID 62205780
2-methyl-3-(4-propylpiperidin-1-yl)propanethioamide
CID 62199637
1-amino-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 62200170
1,1,1-trifluoro-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 63902467
1-cyclopentyl-2-(4-propylpiperidin-1-yl)ethanol
CID 104752787
3-methyl-4-(4-propylpiperidin-1-yl)butan-1-amine
CID 80544082
1-(2,2-diethoxyethyl)-4-propylpiperidine
CID 63617165
2-methyl-1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62612164
1-(tert-butylamino)-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 113317564
3-hydroxy-4-(4-propylazepan-1-yl)butanoic acid
CID 82771064

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylpiperidin-1-yl)propane-2-sulfinic acid?
The IUPAC name of 1-(4-propylpiperidin-1-yl)propane-2-sulfinic acid (CID 174657454) is 1-(4-propylpiperidin-1-yl)propane-2-sulfinic acid.
What is the SMILES notation for 1-(4-propylpiperidin-1-yl)propane-2-sulfinic acid?
The canonical SMILES for 1-(4-propylpiperidin-1-yl)propane-2-sulfinic acid is CCCC1CCN(CC(C)S(=O)O)CC1.
What is the InChIKey of 1-(4-propylpiperidin-1-yl)propane-2-sulfinic acid?
The InChIKey is QHVIJBBSOBIYDH-UHFFFAOYSA-N. 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).
What are the key properties of 1-(4-propylpiperidin-1-yl)propane-2-sulfinic acid?
1-(4-propylpiperidin-1-yl)propane-2-sulfinic acid has a molecular weight of 233.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylpiperidin-1-yl)propane-2-sulfinic acid is sourced from PubChem (CID 174657454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).