3-hydroxypropyl piperidine-1-carbodithioate

C9H17NOS2 — CID 71677736

IUPAC3-hydroxypropyl piperidine-1-carbodithioate
SMILESOCCCSC(=S)N1CCCCC1
InChIInChI=1S/C9H17NOS2/c11-7-4-8-13-9(12)10-5-2-1-3-6-10/h11H,1-8H2
InChIKeySARPKTDVCKPTOW-UHFFFAOYSA-N
MW219.37 g/mol
LogP1.87
Rot. Bonds3

About 3-hydroxypropyl piperidine-1-carbodithioate

3-hydroxypropyl piperidine-1-carbodithioate (PubChem CID 71677736) has the molecular formula C9H17NOS2 and a molecular weight of 219.37 g/mol. Its IUPAC name is 3-hydroxypropyl piperidine-1-carbodithioate.

Molecular Properties

Compound Name3-hydroxypropyl piperidine-1-carbodithioate
PubChem CID71677736
Molecular FormulaC9H17NOS2
Molecular Weight219.37 g/mol
Exact Mass219.08
IUPAC Name3-hydroxypropyl piperidine-1-carbodithioate
SMILESOCCCSC(=S)N1CCCCC1
InChIInChI=1S/C9H17NOS2/c11-7-4-8-13-9(12)10-5-2-1-3-6-10/h11H,1-8H2
InChIKeySARPKTDVCKPTOW-UHFFFAOYSA-N
XLogP1.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropyl piperidine-1-carbodithioate?
The IUPAC name of 3-hydroxypropyl piperidine-1-carbodithioate (CID 71677736) is 3-hydroxypropyl piperidine-1-carbodithioate.
What is the SMILES notation for 3-hydroxypropyl piperidine-1-carbodithioate?
The canonical SMILES for 3-hydroxypropyl piperidine-1-carbodithioate is OCCCSC(=S)N1CCCCC1.
What is the InChIKey of 3-hydroxypropyl piperidine-1-carbodithioate?
The InChIKey is SARPKTDVCKPTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS2/c11-7-4-8-13-9(12)10-5-2-1-3-6-10/h11H,1-8H2.
What are the key properties of 3-hydroxypropyl piperidine-1-carbodithioate?
3-hydroxypropyl piperidine-1-carbodithioate has a molecular weight of 219.37 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropyl piperidine-1-carbodithioate is sourced from PubChem (CID 71677736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).