sodium 3-hydroxypiperidine-1-carbodithioate

C6H10NNaOS2 — CID 71677604

IUPACsodium 3-hydroxypiperidine-1-carbodithioate
SMILESOC1CCCN(C(=S)[S-])C1.[Na+]
InChIInChI=1S/C6H11NOS2.Na/c8-5-2-1-3-7(4-5)6(9)10;/h5,8H,1-4H2,(H,9,10);/q;+1/p-1
InChIKeyFACMCALHWLEMDA-UHFFFAOYSA-M
MW199.28 g/mol
LogP-2.72
Rot. Bonds

About sodium 3-hydroxypiperidine-1-carbodithioate

sodium 3-hydroxypiperidine-1-carbodithioate (PubChem CID 71677604) has the molecular formula C6H10NNaOS2 and a molecular weight of 199.28 g/mol. Its IUPAC name is sodium 3-hydroxypiperidine-1-carbodithioate.

Molecular Properties

Compound Namesodium 3-hydroxypiperidine-1-carbodithioate
PubChem CID71677604
Molecular FormulaC6H10NNaOS2
Molecular Weight199.28 g/mol
Exact Mass199.01
IUPAC Namesodium 3-hydroxypiperidine-1-carbodithioate
SMILESOC1CCCN(C(=S)[S-])C1.[Na+]
InChIInChI=1S/C6H11NOS2.Na/c8-5-2-1-3-7(4-5)6(9)10;/h5,8H,1-4H2,(H,9,10);/q;+1/p-1
InChIKeyFACMCALHWLEMDA-UHFFFAOYSA-M
XLogP-2.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 5-2.72
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 sodium 3-hydroxypiperidine-1-carbodithioate?
The IUPAC name of sodium 3-hydroxypiperidine-1-carbodithioate (CID 71677604) is sodium 3-hydroxypiperidine-1-carbodithioate.
What is the SMILES notation for sodium 3-hydroxypiperidine-1-carbodithioate?
The canonical SMILES for sodium 3-hydroxypiperidine-1-carbodithioate is OC1CCCN(C(=S)[S-])C1.[Na+].
What is the InChIKey of sodium 3-hydroxypiperidine-1-carbodithioate?
The InChIKey is FACMCALHWLEMDA-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11NOS2.Na/c8-5-2-1-3-7(4-5)6(9)10;/h5,8H,1-4H2,(H,9,10);/q;+1/p-1.
What are the key properties of sodium 3-hydroxypiperidine-1-carbodithioate?
sodium 3-hydroxypiperidine-1-carbodithioate has a molecular weight of 199.28 g/mol, XLogP of -2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-hydroxypiperidine-1-carbodithioate is sourced from PubChem (CID 71677604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).