1-(1-ethylpiperidin-4-yl)-2H-tetrazole-5-thione

C8H15N5S — CID 67448418

IUPAC1-(1-ethylpiperidin-4-yl)-2H-tetrazole-5-thione
SMILESCCN1CCC(n2[nH]nnc2=S)CC1
InChIInChI=1S/C8H15N5S/c1-2-12-5-3-7(4-6-12)13-8(14)9-10-11-13/h7H,2-6H2,1H3,(H,9,11,14)
InChIKeyKFUHTQZSCDAZPP-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.99
Rot. Bonds2

About 1-(1-ethylpiperidin-4-yl)-2H-tetrazole-5-thione

1-(1-ethylpiperidin-4-yl)-2H-tetrazole-5-thione (PubChem CID 67448418) has the molecular formula C8H15N5S and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-2H-tetrazole-5-thione
PubChem CID67448418
Molecular FormulaC8H15N5S
Molecular Weight213.31 g/mol
Exact Mass213.10
IUPAC Name1-(1-ethylpiperidin-4-yl)-2H-tetrazole-5-thione
SMILESCCN1CCC(n2[nH]nnc2=S)CC1
InChIInChI=1S/C8H15N5S/c1-2-12-5-3-7(4-6-12)13-8(14)9-10-11-13/h7H,2-6H2,1H3,(H,9,11,14)
InChIKeyKFUHTQZSCDAZPP-UHFFFAOYSA-N
XLogP0.99
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-2H-tetrazole-5-thione?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-2H-tetrazole-5-thione (CID 67448418) is 1-(1-ethylpiperidin-4-yl)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-2H-tetrazole-5-thione is CCN1CCC(n2[nH]nnc2=S)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-2H-tetrazole-5-thione?
The InChIKey is KFUHTQZSCDAZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5S/c1-2-12-5-3-7(4-6-12)13-8(14)9-10-11-13/h7H,2-6H2,1H3,(H,9,11,14).
What are the key properties of 1-(1-ethylpiperidin-4-yl)-2H-tetrazole-5-thione?
1-(1-ethylpiperidin-4-yl)-2H-tetrazole-5-thione has a molecular weight of 213.31 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-2H-tetrazole-5-thione is sourced from PubChem (CID 67448418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).