2-hydroxyethyl piperidine-1-carbodithioate

C8H15NOS2 — CID 71677734

IUPAC2-hydroxyethyl piperidine-1-carbodithioate
SMILESOCCSC(=S)N1CCCCC1
InChIInChI=1S/C8H15NOS2/c10-6-7-12-8(11)9-4-2-1-3-5-9/h10H,1-7H2
InChIKeyWSQZGZVYOKKRCW-UHFFFAOYSA-N
MW205.35 g/mol
LogP1.48
Rot. Bonds2

About 2-hydroxyethyl piperidine-1-carbodithioate

2-hydroxyethyl piperidine-1-carbodithioate (PubChem CID 71677734) has the molecular formula C8H15NOS2 and a molecular weight of 205.35 g/mol. Its IUPAC name is 2-hydroxyethyl piperidine-1-carbodithioate.

Molecular Properties

Compound Name2-hydroxyethyl piperidine-1-carbodithioate
PubChem CID71677734
Molecular FormulaC8H15NOS2
Molecular Weight205.35 g/mol
Exact Mass205.06
IUPAC Name2-hydroxyethyl piperidine-1-carbodithioate
SMILESOCCSC(=S)N1CCCCC1
InChIInChI=1S/C8H15NOS2/c10-6-7-12-8(11)9-4-2-1-3-5-9/h10H,1-7H2
InChIKeyWSQZGZVYOKKRCW-UHFFFAOYSA-N
XLogP1.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-hydroxyethyl piperidine-1-carbodithioate?
The IUPAC name of 2-hydroxyethyl piperidine-1-carbodithioate (CID 71677734) is 2-hydroxyethyl piperidine-1-carbodithioate.
What is the SMILES notation for 2-hydroxyethyl piperidine-1-carbodithioate?
The canonical SMILES for 2-hydroxyethyl piperidine-1-carbodithioate is OCCSC(=S)N1CCCCC1.
What is the InChIKey of 2-hydroxyethyl piperidine-1-carbodithioate?
The InChIKey is WSQZGZVYOKKRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS2/c10-6-7-12-8(11)9-4-2-1-3-5-9/h10H,1-7H2.
What are the key properties of 2-hydroxyethyl piperidine-1-carbodithioate?
2-hydroxyethyl piperidine-1-carbodithioate has a molecular weight of 205.35 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl piperidine-1-carbodithioate is sourced from PubChem (CID 71677734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).