1-(1-piperidin-1-ylethyl)-2H-tetrazole-5-thione

C8H15N5S — CID 69199452

IUPAC1-(1-piperidin-1-ylethyl)-2H-tetrazole-5-thione
SMILESCC(N1CCCCC1)n1[nH]nnc1=S
InChIInChI=1S/C8H15N5S/c1-7(12-5-3-2-4-6-12)13-8(14)9-10-11-13/h7H,2-6H2,1H3,(H,9,11,14)
InChIKeyCWMYOHZXULNVKU-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.34
Rot. Bonds2

About 1-(1-piperidin-1-ylethyl)-2H-tetrazole-5-thione

1-(1-piperidin-1-ylethyl)-2H-tetrazole-5-thione (PubChem CID 69199452) has the molecular formula C8H15N5S and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-(1-piperidin-1-ylethyl)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(1-piperidin-1-ylethyl)-2H-tetrazole-5-thione
PubChem CID69199452
Molecular FormulaC8H15N5S
Molecular Weight213.31 g/mol
Exact Mass213.10
IUPAC Name1-(1-piperidin-1-ylethyl)-2H-tetrazole-5-thione
SMILESCC(N1CCCCC1)n1[nH]nnc1=S
InChIInChI=1S/C8H15N5S/c1-7(12-5-3-2-4-6-12)13-8(14)9-10-11-13/h7H,2-6H2,1H3,(H,9,11,14)
InChIKeyCWMYOHZXULNVKU-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
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-(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-[1-(dibutylamino)ethyl]-2H-tetrazole-5-thione
CID 22117036
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-3-yl)-2H-tetrazole-5-thione
CID 61478158
1-[(1-methylpiperidin-4-yl)methyl]-2H-tetrazole-5-thione
CID 61791278
1-(1-ethylpiperidin-4-yl)-2H-tetrazole-5-thione
CID 67448418
1-[2-[methyl(pentyl)amino]ethyl]-2H-tetrazole-5-thione
CID 146534400
1-(1-methylpiperidin-3-yl)-2H-tetrazole-5-thione
CID 61221470
1-(1-piperidin-1-ylpropan-2-yl)-2H-tetrazole-5-thione
CID 61499907
1-(1-propylpiperidin-4-yl)-2H-tetrazole-5-thione
CID 61512353

Frequently Asked Questions

What is the IUPAC name of 1-(1-piperidin-1-ylethyl)-2H-tetrazole-5-thione?
The IUPAC name of 1-(1-piperidin-1-ylethyl)-2H-tetrazole-5-thione (CID 69199452) is 1-(1-piperidin-1-ylethyl)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(1-piperidin-1-ylethyl)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(1-piperidin-1-ylethyl)-2H-tetrazole-5-thione is CC(N1CCCCC1)n1[nH]nnc1=S.
What is the InChIKey of 1-(1-piperidin-1-ylethyl)-2H-tetrazole-5-thione?
The InChIKey is CWMYOHZXULNVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5S/c1-7(12-5-3-2-4-6-12)13-8(14)9-10-11-13/h7H,2-6H2,1H3,(H,9,11,14).
What are the key properties of 1-(1-piperidin-1-ylethyl)-2H-tetrazole-5-thione?
1-(1-piperidin-1-ylethyl)-2H-tetrazole-5-thione has a molecular weight of 213.31 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperidin-1-ylethyl)-2H-tetrazole-5-thione is sourced from PubChem (CID 69199452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).