piperidin-1-ylazanium;N-piperidin-1-ylcarbamodithioate

C11H24N4S2 — CID 158652223

IUPACpiperidin-1-ylazanium;N-piperidin-1-ylcarbamodithioate
SMILESS=C([S-])NN1CCCCC1.[NH3+]N1CCCCC1
InChIInChI=1S/C6H12N2S2.C5H12N2/c9-6(10)7-8-4-2-1-3-5-8;6-7-4-2-1-3-5-7/h1-5H2,(H2,7,9,10);1-6H2
InChIKeyIBRRRGUOLIRHOB-UHFFFAOYSA-N
MW276.47 g/mol
LogP0.44
Rot. Bonds1

About piperidin-1-ylazanium;N-piperidin-1-ylcarbamodithioate

piperidin-1-ylazanium;N-piperidin-1-ylcarbamodithioate (PubChem CID 158652223) has the molecular formula C11H24N4S2 and a molecular weight of 276.47 g/mol. Its IUPAC name is piperidin-1-ylazanium;N-piperidin-1-ylcarbamodithioate.

Molecular Properties

Compound Namepiperidin-1-ylazanium;N-piperidin-1-ylcarbamodithioate
PubChem CID158652223
Molecular FormulaC11H24N4S2
Molecular Weight276.47 g/mol
Exact Mass276.14
IUPAC Namepiperidin-1-ylazanium;N-piperidin-1-ylcarbamodithioate
SMILESS=C([S-])NN1CCCCC1.[NH3+]N1CCCCC1
InChIInChI=1S/C6H12N2S2.C5H12N2/c9-6(10)7-8-4-2-1-3-5-8;6-7-4-2-1-3-5-7/h1-5H2,(H2,7,9,10);1-6H2
InChIKeyIBRRRGUOLIRHOB-UHFFFAOYSA-N
XLogP0.44
TPSA46.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-ylazanium;N-piperidin-1-ylcarbamodithioate?
The IUPAC name of piperidin-1-ylazanium;N-piperidin-1-ylcarbamodithioate (CID 158652223) is piperidin-1-ylazanium;N-piperidin-1-ylcarbamodithioate.
What is the SMILES notation for piperidin-1-ylazanium;N-piperidin-1-ylcarbamodithioate?
The canonical SMILES for piperidin-1-ylazanium;N-piperidin-1-ylcarbamodithioate is S=C([S-])NN1CCCCC1.[NH3+]N1CCCCC1.
What is the InChIKey of piperidin-1-ylazanium;N-piperidin-1-ylcarbamodithioate?
The InChIKey is IBRRRGUOLIRHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S2.C5H12N2/c9-6(10)7-8-4-2-1-3-5-8;6-7-4-2-1-3-5-7/h1-5H2,(H2,7,9,10);1-6H2.
What are the key properties of piperidin-1-ylazanium;N-piperidin-1-ylcarbamodithioate?
piperidin-1-ylazanium;N-piperidin-1-ylcarbamodithioate has a molecular weight of 276.47 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-ylazanium;N-piperidin-1-ylcarbamodithioate is sourced from PubChem (CID 158652223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).