[(2R)-3-hydroxy-2-methylpropyl] piperidine-1-carbodithioate

C10H19NOS2 — CID 71677735

IUPAC[(2R)-3-hydroxy-2-methylpropyl] piperidine-1-carbodithioate
SMILESC[C@H](CO)CSC(=S)N1CCCCC1
InChIInChI=1S/C10H19NOS2/c1-9(7-12)8-14-10(13)11-5-3-2-4-6-11/h9,12H,2-8H2,1H3/t9-/m1/s1
InChIKeyZZQRLRGWYQWPCF-SECBINFHSA-N
MW233.40 g/mol
LogP2.12
Rot. Bonds3

About [(2R)-3-hydroxy-2-methylpropyl] piperidine-1-carbodithioate

[(2R)-3-hydroxy-2-methylpropyl] piperidine-1-carbodithioate (PubChem CID 71677735) has the molecular formula C10H19NOS2 and a molecular weight of 233.40 g/mol. Its IUPAC name is [(2R)-3-hydroxy-2-methylpropyl] piperidine-1-carbodithioate.

Molecular Properties

Compound Name[(2R)-3-hydroxy-2-methylpropyl] piperidine-1-carbodithioate
PubChem CID71677735
Molecular FormulaC10H19NOS2
Molecular Weight233.40 g/mol
Exact Mass233.09
IUPAC Name[(2R)-3-hydroxy-2-methylpropyl] piperidine-1-carbodithioate
SMILESC[C@H](CO)CSC(=S)N1CCCCC1
InChIInChI=1S/C10H19NOS2/c1-9(7-12)8-14-10(13)11-5-3-2-4-6-11/h9,12H,2-8H2,1H3/t9-/m1/s1
InChIKeyZZQRLRGWYQWPCF-SECBINFHSA-N
XLogP2.12
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 ≤ 52.12
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-Hydroxypropyl piperidine-1-carbodithioate
CID 10889415
2,3-Dihydroxypropyl piperidine-1-carbodithioate
CID 53251699
3-hydroxypropyl N,N-dibutylcarbamodithioate
CID 58858695
[3-Hydroxy-2-(hydroxymethyl)propyl] piperidine-1-carbodithioate
CID 123521015
(2-Hydroxy-3-methylsulfanylpropyl) piperidine-1-carbodithioate
CID 10945350
2-Methyl-3-(2-piperidin-1-ylethylsulfanyl)propan-1-ol
CID 66104924
2-Hydroxybutyl piperidine-1-carbodithioate
CID 71421722
6-Hydroxyhexyl piperidine-1-carbodithioate
CID 71677705
2-Hydroxyethyl piperidine-1-carbodithioate
CID 71677734
3-Hydroxypropyl piperidine-1-carbodithioate
CID 71677736

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-hydroxy-2-methylpropyl] piperidine-1-carbodithioate?
The IUPAC name of [(2R)-3-hydroxy-2-methylpropyl] piperidine-1-carbodithioate (CID 71677735) is [(2R)-3-hydroxy-2-methylpropyl] piperidine-1-carbodithioate.
What is the SMILES notation for [(2R)-3-hydroxy-2-methylpropyl] piperidine-1-carbodithioate?
The canonical SMILES for [(2R)-3-hydroxy-2-methylpropyl] piperidine-1-carbodithioate is C[C@H](CO)CSC(=S)N1CCCCC1.
What is the InChIKey of [(2R)-3-hydroxy-2-methylpropyl] piperidine-1-carbodithioate?
The InChIKey is ZZQRLRGWYQWPCF-SECBINFHSA-N. The full InChI is InChI=1S/C10H19NOS2/c1-9(7-12)8-14-10(13)11-5-3-2-4-6-11/h9,12H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of [(2R)-3-hydroxy-2-methylpropyl] piperidine-1-carbodithioate?
[(2R)-3-hydroxy-2-methylpropyl] piperidine-1-carbodithioate has a molecular weight of 233.40 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-hydroxy-2-methylpropyl] piperidine-1-carbodithioate is sourced from PubChem (CID 71677735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).