1-piperidin-1-ylethylcarbamodithioic acid

C8H16N2S2 — CID 154137599

IUPAC1-piperidin-1-ylethylcarbamodithioic acid
SMILESCC(NC(=S)S)N1CCCCC1
InChIInChI=1S/C8H16N2S2/c1-7(9-8(11)12)10-5-3-2-4-6-10/h7H,2-6H2,1H3,(H2,9,11,12)
InChIKeyZDIJLYCXBMFOHZ-UHFFFAOYSA-N
MW204.36 g/mol
LogP1.62
Rot. Bonds2

About 1-piperidin-1-ylethylcarbamodithioic acid

1-piperidin-1-ylethylcarbamodithioic acid (PubChem CID 154137599) has the molecular formula C8H16N2S2 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1-piperidin-1-ylethylcarbamodithioic acid.

Molecular Properties

Compound Name1-piperidin-1-ylethylcarbamodithioic acid
PubChem CID154137599
Molecular FormulaC8H16N2S2
Molecular Weight204.36 g/mol
Exact Mass204.08
IUPAC Name1-piperidin-1-ylethylcarbamodithioic acid
SMILESCC(NC(=S)S)N1CCCCC1
InChIInChI=1S/C8H16N2S2/c1-7(9-8(11)12)10-5-3-2-4-6-10/h7H,2-6H2,1H3,(H2,9,11,12)
InChIKeyZDIJLYCXBMFOHZ-UHFFFAOYSA-N
XLogP1.62
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylethylcarbamodithioic acid?
The IUPAC name of 1-piperidin-1-ylethylcarbamodithioic acid (CID 154137599) is 1-piperidin-1-ylethylcarbamodithioic acid.
What is the SMILES notation for 1-piperidin-1-ylethylcarbamodithioic acid?
The canonical SMILES for 1-piperidin-1-ylethylcarbamodithioic acid is CC(NC(=S)S)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-ylethylcarbamodithioic acid?
The InChIKey is ZDIJLYCXBMFOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S2/c1-7(9-8(11)12)10-5-3-2-4-6-10/h7H,2-6H2,1H3,(H2,9,11,12).
What are the key properties of 1-piperidin-1-ylethylcarbamodithioic acid?
1-piperidin-1-ylethylcarbamodithioic acid has a molecular weight of 204.36 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylethylcarbamodithioic acid is sourced from PubChem (CID 154137599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).