4-hydroxypiperidine-1-carbodithioate

C6H10NOS2- — CID 90477064

IUPAC4-hydroxypiperidine-1-carbodithioate
SMILESOC1CCN(C(=S)[S-])CC1
InChIInChI=1S/C6H11NOS2/c8-5-1-3-7(4-2-5)6(9)10/h5,8H,1-4H2,(H,9,10)/p-1
InChIKeyOZOGOCWJWVKYSV-UHFFFAOYSA-M
MW176.29 g/mol
LogP0.27
Rot. Bonds

About 4-hydroxypiperidine-1-carbodithioate

4-hydroxypiperidine-1-carbodithioate (PubChem CID 90477064) has the molecular formula C6H10NOS2- and a molecular weight of 176.29 g/mol. Its IUPAC name is 4-hydroxypiperidine-1-carbodithioate.

Molecular Properties

Compound Name4-hydroxypiperidine-1-carbodithioate
PubChem CID90477064
Molecular FormulaC6H10NOS2-
Molecular Weight176.29 g/mol
Exact Mass176.02
IUPAC Name4-hydroxypiperidine-1-carbodithioate
SMILESOC1CCN(C(=S)[S-])CC1
InChIInChI=1S/C6H11NOS2/c8-5-1-3-7(4-2-5)6(9)10/h5,8H,1-4H2,(H,9,10)/p-1
InChIKeyOZOGOCWJWVKYSV-UHFFFAOYSA-M
XLogP0.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.29
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxypiperidine-1-carbodithioate?
The IUPAC name of 4-hydroxypiperidine-1-carbodithioate (CID 90477064) is 4-hydroxypiperidine-1-carbodithioate.
What is the SMILES notation for 4-hydroxypiperidine-1-carbodithioate?
The canonical SMILES for 4-hydroxypiperidine-1-carbodithioate is OC1CCN(C(=S)[S-])CC1.
What is the InChIKey of 4-hydroxypiperidine-1-carbodithioate?
The InChIKey is OZOGOCWJWVKYSV-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11NOS2/c8-5-1-3-7(4-2-5)6(9)10/h5,8H,1-4H2,(H,9,10)/p-1.
What are the key properties of 4-hydroxypiperidine-1-carbodithioate?
4-hydroxypiperidine-1-carbodithioate has a molecular weight of 176.29 g/mol, XLogP of 0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxypiperidine-1-carbodithioate is sourced from PubChem (CID 90477064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).