azanium N-piperidin-1-ylcarbamodithioate

C6H15N3S2 — CID 134109590

IUPACazanium N-piperidin-1-ylcarbamodithioate
SMILESS=C([S-])NN1CCCCC1.[NH4+]
InChIInChI=1S/C6H12N2S2.H3N/c9-6(10)7-8-4-2-1-3-5-8;/h1-5H2,(H2,7,9,10);1H3
InChIKeyXXJFCFUAGKTOJH-UHFFFAOYSA-N
MW193.34 g/mol
LogP1.18
Rot. Bonds1

About azanium N-piperidin-1-ylcarbamodithioate

azanium N-piperidin-1-ylcarbamodithioate (PubChem CID 134109590) has the molecular formula C6H15N3S2 and a molecular weight of 193.34 g/mol. Its IUPAC name is azanium N-piperidin-1-ylcarbamodithioate.

Molecular Properties

Compound Nameazanium N-piperidin-1-ylcarbamodithioate
PubChem CID134109590
Molecular FormulaC6H15N3S2
Molecular Weight193.34 g/mol
Exact Mass193.07
IUPAC Nameazanium N-piperidin-1-ylcarbamodithioate
SMILESS=C([S-])NN1CCCCC1.[NH4+]
InChIInChI=1S/C6H12N2S2.H3N/c9-6(10)7-8-4-2-1-3-5-8;/h1-5H2,(H2,7,9,10);1H3
InChIKeyXXJFCFUAGKTOJH-UHFFFAOYSA-N
XLogP1.18
TPSA51.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 azanium N-piperidin-1-ylcarbamodithioate?
The IUPAC name of azanium N-piperidin-1-ylcarbamodithioate (CID 134109590) is azanium N-piperidin-1-ylcarbamodithioate.
What is the SMILES notation for azanium N-piperidin-1-ylcarbamodithioate?
The canonical SMILES for azanium N-piperidin-1-ylcarbamodithioate is S=C([S-])NN1CCCCC1.[NH4+].
What is the InChIKey of azanium N-piperidin-1-ylcarbamodithioate?
The InChIKey is XXJFCFUAGKTOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S2.H3N/c9-6(10)7-8-4-2-1-3-5-8;/h1-5H2,(H2,7,9,10);1H3.
What are the key properties of azanium N-piperidin-1-ylcarbamodithioate?
azanium N-piperidin-1-ylcarbamodithioate has a molecular weight of 193.34 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium N-piperidin-1-ylcarbamodithioate is sourced from PubChem (CID 134109590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).