(2-hydroxy-3-piperidin-1-ylpropyl) piperidine-1-carbodithioate

C14H26N2OS2 — CID 86246157

IUPAC(2-hydroxy-3-piperidin-1-ylpropyl) piperidine-1-carbodithioate
SMILESOC(CSC(=S)N1CCCCC1)CN1CCCCC1
InChIInChI=1S/C14H26N2OS2/c17-13(11-15-7-3-1-4-8-15)12-19-14(18)16-9-5-2-6-10-16/h13,17H,1-12H2
InChIKeyWOZRWJNSIFSWAO-UHFFFAOYSA-N
MW302.51 g/mol
LogP2.34
Rot. Bonds4

About (2-hydroxy-3-piperidin-1-ylpropyl) piperidine-1-carbodithioate

(2-hydroxy-3-piperidin-1-ylpropyl) piperidine-1-carbodithioate (PubChem CID 86246157) has the molecular formula C14H26N2OS2 and a molecular weight of 302.51 g/mol. Its IUPAC name is (2-hydroxy-3-piperidin-1-ylpropyl) piperidine-1-carbodithioate.

Molecular Properties

Compound Name(2-hydroxy-3-piperidin-1-ylpropyl) piperidine-1-carbodithioate
PubChem CID86246157
Molecular FormulaC14H26N2OS2
Molecular Weight302.51 g/mol
Exact Mass302.15
IUPAC Name(2-hydroxy-3-piperidin-1-ylpropyl) piperidine-1-carbodithioate
SMILESOC(CSC(=S)N1CCCCC1)CN1CCCCC1
InChIInChI=1S/C14H26N2OS2/c17-13(11-15-7-3-1-4-8-15)12-19-14(18)16-9-5-2-6-10-16/h13,17H,1-12H2
InChIKeyWOZRWJNSIFSWAO-UHFFFAOYSA-N
XLogP2.34
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.51
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-piperidin-1-ylpropyl) piperidine-1-carbodithioate?
The IUPAC name of (2-hydroxy-3-piperidin-1-ylpropyl) piperidine-1-carbodithioate (CID 86246157) is (2-hydroxy-3-piperidin-1-ylpropyl) piperidine-1-carbodithioate.
What is the SMILES notation for (2-hydroxy-3-piperidin-1-ylpropyl) piperidine-1-carbodithioate?
The canonical SMILES for (2-hydroxy-3-piperidin-1-ylpropyl) piperidine-1-carbodithioate is OC(CSC(=S)N1CCCCC1)CN1CCCCC1.
What is the InChIKey of (2-hydroxy-3-piperidin-1-ylpropyl) piperidine-1-carbodithioate?
The InChIKey is WOZRWJNSIFSWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS2/c17-13(11-15-7-3-1-4-8-15)12-19-14(18)16-9-5-2-6-10-16/h13,17H,1-12H2.
What are the key properties of (2-hydroxy-3-piperidin-1-ylpropyl) piperidine-1-carbodithioate?
(2-hydroxy-3-piperidin-1-ylpropyl) piperidine-1-carbodithioate has a molecular weight of 302.51 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-piperidin-1-ylpropyl) piperidine-1-carbodithioate is sourced from PubChem (CID 86246157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).