2-hydroxybutyl piperidine-1-carbodithioate

C10H19NOS2 — CID 71421722

IUPAC2-hydroxybutyl piperidine-1-carbodithioate
SMILESCCC(O)CSC(=S)N1CCCCC1
InChIInChI=1S/C10H19NOS2/c1-2-9(12)8-14-10(13)11-6-4-3-5-7-11/h9,12H,2-8H2,1H3
InChIKeyFDUSYVTUHZYEOD-UHFFFAOYSA-N
MW233.40 g/mol
LogP2.26
Rot. Bonds3

About 2-hydroxybutyl piperidine-1-carbodithioate

2-hydroxybutyl piperidine-1-carbodithioate (PubChem CID 71421722) has the molecular formula C10H19NOS2 and a molecular weight of 233.40 g/mol. Its IUPAC name is 2-hydroxybutyl piperidine-1-carbodithioate.

Molecular Properties

Compound Name2-hydroxybutyl piperidine-1-carbodithioate
PubChem CID71421722
Molecular FormulaC10H19NOS2
Molecular Weight233.40 g/mol
Exact Mass233.09
IUPAC Name2-hydroxybutyl piperidine-1-carbodithioate
SMILESCCC(O)CSC(=S)N1CCCCC1
InChIInChI=1S/C10H19NOS2/c1-2-9(12)8-14-10(13)11-6-4-3-5-7-11/h9,12H,2-8H2,1H3
InChIKeyFDUSYVTUHZYEOD-UHFFFAOYSA-N
XLogP2.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxy-6-methyl-3-propyl-1,3-thiazinane-2-thione
CID 139230873
3-Butyl-4-hydroxy-6-methyl-1,3-thiazinane-2-thione
CID 139230875
2-Hydroxy-3-(piperidin-1-yl)propyl piperidine-1-carbodithioate
CID 86246157
2-Hydroxypropyl piperidine-1-carbodithioate
CID 10889415
2-hydroxypropyl N,N-dibutylcarbamodithioate
CID 15742902
(2-hydroxy-3-methylsulfanylpropyl) N,N-dibutylcarbamodithioate
CID 20756511
2,3-Dihydroxypropyl piperidine-1-carbodithioate
CID 53251699
3-hydroxypropyl N,N-dibutylcarbamodithioate
CID 58858695
1-(2-Methylsulfanylethyl)piperidin-4-ol
CID 115573405
[3-Hydroxy-2-(hydroxymethyl)propyl] piperidine-1-carbodithioate
CID 123521015
3-Ethylsulfanyl-1-methylpiperidin-4-ol
CID 146631423
1-Ethyl-3-methylsulfanylpiperidin-4-ol
CID 154967882

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybutyl piperidine-1-carbodithioate?
The IUPAC name of 2-hydroxybutyl piperidine-1-carbodithioate (CID 71421722) is 2-hydroxybutyl piperidine-1-carbodithioate.
What is the SMILES notation for 2-hydroxybutyl piperidine-1-carbodithioate?
The canonical SMILES for 2-hydroxybutyl piperidine-1-carbodithioate is CCC(O)CSC(=S)N1CCCCC1.
What is the InChIKey of 2-hydroxybutyl piperidine-1-carbodithioate?
The InChIKey is FDUSYVTUHZYEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS2/c1-2-9(12)8-14-10(13)11-6-4-3-5-7-11/h9,12H,2-8H2,1H3.
What are the key properties of 2-hydroxybutyl piperidine-1-carbodithioate?
2-hydroxybutyl piperidine-1-carbodithioate has a molecular weight of 233.40 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybutyl piperidine-1-carbodithioate is sourced from PubChem (CID 71421722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).