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

C7H13N5S — CID 61221470

IUPAC1-(1-methylpiperidin-3-yl)-2H-tetrazole-5-thione
SMILESCN1CCCC(n2[nH]nnc2=S)C1
InChIInChI=1S/C7H13N5S/c1-11-4-2-3-6(5-11)12-7(13)8-9-10-12/h6H,2-5H2,1H3,(H,8,10,13)
InChIKeyXOHFUZDNKYWNIM-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.60
Rot. Bonds1

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

1-(1-methylpiperidin-3-yl)-2H-tetrazole-5-thione (PubChem CID 61221470) has the molecular formula C7H13N5S and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-(1-methylpiperidin-3-yl)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(1-methylpiperidin-3-yl)-2H-tetrazole-5-thione
PubChem CID61221470
Molecular FormulaC7H13N5S
Molecular Weight199.28 g/mol
Exact Mass199.09
IUPAC Name1-(1-methylpiperidin-3-yl)-2H-tetrazole-5-thione
SMILESCN1CCCC(n2[nH]nnc2=S)C1
InChIInChI=1S/C7H13N5S/c1-11-4-2-3-6(5-11)12-7(13)8-9-10-12/h6H,2-5H2,1H3,(H,8,10,13)
InChIKeyXOHFUZDNKYWNIM-UHFFFAOYSA-N
XLogP0.60
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.60
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-(2-piperidin-1-ylethyl)-2H-tetrazole-5-thione
CID 18341672
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-3-yl)-2H-tetrazole-5-thione
CID 61478158
1-(1-ethylpiperidin-4-yl)-2H-tetrazole-5-thione
CID 67448418
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
1-[2-[methyl(pentyl)amino]ethyl]-2H-tetrazole-5-thione
CID 146534400
1-[2-(dimethylamino)butyl]-2H-tetrazole-5-thione
CID 175027590
1-[1-(dimethylamino)butan-2-yl]-2H-tetrazole-5-thione
CID 175027592

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-3-yl)-2H-tetrazole-5-thione?
The IUPAC name of 1-(1-methylpiperidin-3-yl)-2H-tetrazole-5-thione (CID 61221470) is 1-(1-methylpiperidin-3-yl)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(1-methylpiperidin-3-yl)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(1-methylpiperidin-3-yl)-2H-tetrazole-5-thione is CN1CCCC(n2[nH]nnc2=S)C1.
What is the InChIKey of 1-(1-methylpiperidin-3-yl)-2H-tetrazole-5-thione?
The InChIKey is XOHFUZDNKYWNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5S/c1-11-4-2-3-6(5-11)12-7(13)8-9-10-12/h6H,2-5H2,1H3,(H,8,10,13).
What are the key properties of 1-(1-methylpiperidin-3-yl)-2H-tetrazole-5-thione?
1-(1-methylpiperidin-3-yl)-2H-tetrazole-5-thione has a molecular weight of 199.28 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-3-yl)-2H-tetrazole-5-thione is sourced from PubChem (CID 61221470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).