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

C8H17N2O2S- — CID 84674665

IUPAC3-(4-aminopiperidin-1-yl)propane-1-sulfinate
SMILESNC1CCN(CCCS(=O)[O-])CC1
InChIInChI=1S/C8H18N2O2S/c9-8-2-5-10(6-3-8)4-1-7-13(11)12/h8H,1-7,9H2,(H,11,12)/p-1
InChIKeyZYFCGOACJUCCFG-UHFFFAOYSA-M
MW205.30 g/mol
LogP-0.32
Rot. Bonds4

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

3-(4-aminopiperidin-1-yl)propane-1-sulfinate (PubChem CID 84674665) has the molecular formula C8H17N2O2S- and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(4-aminopiperidin-1-yl)propane-1-sulfinate.

Molecular Properties

Compound Name3-(4-aminopiperidin-1-yl)propane-1-sulfinate
PubChem CID84674665
Molecular FormulaC8H17N2O2S-
Molecular Weight205.30 g/mol
Exact Mass205.10
IUPAC Name3-(4-aminopiperidin-1-yl)propane-1-sulfinate
SMILESNC1CCN(CCCS(=O)[O-])CC1
InChIInChI=1S/C8H18N2O2S/c9-8-2-5-10(6-3-8)4-1-7-13(11)12/h8H,1-7,9H2,(H,11,12)/p-1
InChIKeyZYFCGOACJUCCFG-UHFFFAOYSA-M
XLogP-0.32
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethylpiperidin-1-yl)propane-1-sulfinate
CID 174398468
3-(4-methylpiperidin-1-yl)propane-1-sulfinate
CID 174398466
3-(4-propylpiperidin-1-yl)propane-1-sulfinate
CID 174406890
4-(4-aminopiperidin-1-yl)butanamide
CID 118533814
ethane;1-pentylpiperidin-4-amine
CID 142516102
6-(4-aminopiperidin-1-yl)hexan-1-ol
CID 70276836
2-(4-aminopiperidin-1-yl)ethanol
CID 15733445
1-(3-methoxypropyl)piperidin-4-amine;hydrochloride
CID 141311767
1-(3-ethoxypropyl)piperidin-4-amine
CID 18001948
methyl 4-(4-aminopiperidin-1-yl)butanoate
CID 43556647
1-(2-fluoroethyl)piperidin-4-amine;dihydrochloride
CID 86637499
1-(6-methoxyhexyl)piperidin-4-amine
CID 18001881

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopiperidin-1-yl)propane-1-sulfinate?
The IUPAC name of 3-(4-aminopiperidin-1-yl)propane-1-sulfinate (CID 84674665) is 3-(4-aminopiperidin-1-yl)propane-1-sulfinate.
What is the SMILES notation for 3-(4-aminopiperidin-1-yl)propane-1-sulfinate?
The canonical SMILES for 3-(4-aminopiperidin-1-yl)propane-1-sulfinate is NC1CCN(CCCS(=O)[O-])CC1.
What is the InChIKey of 3-(4-aminopiperidin-1-yl)propane-1-sulfinate?
The InChIKey is ZYFCGOACJUCCFG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18N2O2S/c9-8-2-5-10(6-3-8)4-1-7-13(11)12/h8H,1-7,9H2,(H,11,12)/p-1.
What are the key properties of 3-(4-aminopiperidin-1-yl)propane-1-sulfinate?
3-(4-aminopiperidin-1-yl)propane-1-sulfinate has a molecular weight of 205.30 g/mol, XLogP of -0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopiperidin-1-yl)propane-1-sulfinate is sourced from PubChem (CID 84674665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).