1-(1-ethylpiperidin-3-yl)-2H-tetrazole-5-thione

C8H15N5S — CID 61478158

IUPAC1-(1-ethylpiperidin-3-yl)-2H-tetrazole-5-thione
SMILESCCN1CCCC(n2[nH]nnc2=S)C1
InChIInChI=1S/C8H15N5S/c1-2-12-5-3-4-7(6-12)13-8(14)9-10-11-13/h7H,2-6H2,1H3,(H,9,11,14)
InChIKeyKSQLIEJWHOWEHT-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.99
Rot. Bonds2

About 1-(1-ethylpiperidin-3-yl)-2H-tetrazole-5-thione

1-(1-ethylpiperidin-3-yl)-2H-tetrazole-5-thione (PubChem CID 61478158) has the molecular formula C8H15N5S and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-3-yl)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(1-ethylpiperidin-3-yl)-2H-tetrazole-5-thione
PubChem CID61478158
Molecular FormulaC8H15N5S
Molecular Weight213.31 g/mol
Exact Mass213.10
IUPAC Name1-(1-ethylpiperidin-3-yl)-2H-tetrazole-5-thione
SMILESCCN1CCCC(n2[nH]nnc2=S)C1
InChIInChI=1S/C8H15N5S/c1-2-12-5-3-4-7(6-12)13-8(14)9-10-11-13/h7H,2-6H2,1H3,(H,9,11,14)
InChIKeyKSQLIEJWHOWEHT-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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Related Compounds

1-[3-(4-methyl-1-piperazinyl)propyl]-1H-tetrazole-5-thiol
CID 12802948
1-[3-(Piperidin-1-yl)propyl]-1,2-dihydro-5H-tetrazole-5-thione
CID 13577137
1-(2-piperidin-1-ylethyl)-2H-tetrazole-5-thione
CID 18341672
1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-2H-tetrazole-5-thione;dihydrochloride
CID 20252206
1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-2H-tetrazole-5-thione
CID 20252207
1-(1-methylpiperidin-4-yl)-2H-tetrazole-5-thione
CID 43373639
3-methyl-1-(2-piperidin-1-ylethyl)-2H-tetrazol-3-ium-5-thione
CID 59950423
1-(1-ethylpiperidin-4-yl)-2H-tetrazole-5-thione
CID 67448418
1-[1-(1-methylpiperidin-4-yl)ethyl]-2H-tetrazole-5-thione
CID 67449190
1-(1-piperidin-1-ylethyl)-2H-tetrazole-5-thione
CID 69199452
1-[3-(1-methylpiperazin-2-yl)propyl]-2H-tetrazole-5-thione;dihydrochloride
CID 70534945
1-[3-(1-methylpiperazin-2-yl)propyl]-2H-tetrazole-5-thione
CID 70534946

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-3-yl)-2H-tetrazole-5-thione?
The IUPAC name of 1-(1-ethylpiperidin-3-yl)-2H-tetrazole-5-thione (CID 61478158) is 1-(1-ethylpiperidin-3-yl)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(1-ethylpiperidin-3-yl)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(1-ethylpiperidin-3-yl)-2H-tetrazole-5-thione is CCN1CCCC(n2[nH]nnc2=S)C1.
What is the InChIKey of 1-(1-ethylpiperidin-3-yl)-2H-tetrazole-5-thione?
The InChIKey is KSQLIEJWHOWEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5S/c1-2-12-5-3-4-7(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-3-yl)-2H-tetrazole-5-thione?
1-(1-ethylpiperidin-3-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-3-yl)-2H-tetrazole-5-thione is sourced from PubChem (CID 61478158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).