1-[1-(1-methylpiperidin-4-yl)ethyl]-2H-tetrazole-5-thione

C9H17N5S — CID 67449190

IUPAC1-[1-(1-methylpiperidin-4-yl)ethyl]-2H-tetrazole-5-thione
SMILESCC(C1CCN(C)CC1)n1[nH]nnc1=S
InChIInChI=1S/C9H17N5S/c1-7(14-9(15)10-11-12-14)8-3-5-13(2)6-4-8/h7-8H,3-6H2,1-2H3,(H,10,12,15)
InChIKeyGTCRLFPYKLXFPL-UHFFFAOYSA-N
MW227.34 g/mol
LogP1.24
Rot. Bonds2

About 1-[1-(1-methylpiperidin-4-yl)ethyl]-2H-tetrazole-5-thione

1-[1-(1-methylpiperidin-4-yl)ethyl]-2H-tetrazole-5-thione (PubChem CID 67449190) has the molecular formula C9H17N5S and a molecular weight of 227.34 g/mol. Its IUPAC name is 1-[1-(1-methylpiperidin-4-yl)ethyl]-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-[1-(1-methylpiperidin-4-yl)ethyl]-2H-tetrazole-5-thione
PubChem CID67449190
Molecular FormulaC9H17N5S
Molecular Weight227.34 g/mol
Exact Mass227.12
IUPAC Name1-[1-(1-methylpiperidin-4-yl)ethyl]-2H-tetrazole-5-thione
SMILESCC(C1CCN(C)CC1)n1[nH]nnc1=S
InChIInChI=1S/C9H17N5S/c1-7(14-9(15)10-11-12-14)8-3-5-13(2)6-4-8/h7-8H,3-6H2,1-2H3,(H,10,12,15)
InChIKeyGTCRLFPYKLXFPL-UHFFFAOYSA-N
XLogP1.24
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.34
LogP ≤ 51.24
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-(1-methylpiperidin-4-yl)-2H-tetrazole-5-thione
CID 43373639
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-(1-piperidin-1-ylpropan-2-yl)-2H-tetrazole-5-thione
CID 61499907
1-(1-propylpiperidin-4-yl)-2H-tetrazole-5-thione
CID 61512353
1-[(1-ethylpiperidin-4-yl)methyl]-2H-tetrazole-5-thione
CID 61791279
1-[(1-methylpiperidin-3-yl)methyl]-2H-tetrazole-5-thione
CID 61824747
1-(2-piperidin-1-ylpropyl)-2H-tetrazole-5-thione
CID 61862294
1-(3-ethylpentan-2-yl)-2H-tetrazole-5-thione
CID 63837317
1-(4-methylhexan-2-yl)-2H-tetrazole-5-thione
CID 65514768
1-(1,2-dimethylpiperidin-4-yl)-2H-tetrazole-5-thione
CID 81629739

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methylpiperidin-4-yl)ethyl]-2H-tetrazole-5-thione?
The IUPAC name of 1-[1-(1-methylpiperidin-4-yl)ethyl]-2H-tetrazole-5-thione (CID 67449190) is 1-[1-(1-methylpiperidin-4-yl)ethyl]-2H-tetrazole-5-thione.
What is the SMILES notation for 1-[1-(1-methylpiperidin-4-yl)ethyl]-2H-tetrazole-5-thione?
The canonical SMILES for 1-[1-(1-methylpiperidin-4-yl)ethyl]-2H-tetrazole-5-thione is CC(C1CCN(C)CC1)n1[nH]nnc1=S.
What is the InChIKey of 1-[1-(1-methylpiperidin-4-yl)ethyl]-2H-tetrazole-5-thione?
The InChIKey is GTCRLFPYKLXFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5S/c1-7(14-9(15)10-11-12-14)8-3-5-13(2)6-4-8/h7-8H,3-6H2,1-2H3,(H,10,12,15).
What are the key properties of 1-[1-(1-methylpiperidin-4-yl)ethyl]-2H-tetrazole-5-thione?
1-[1-(1-methylpiperidin-4-yl)ethyl]-2H-tetrazole-5-thione has a molecular weight of 227.34 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methylpiperidin-4-yl)ethyl]-2H-tetrazole-5-thione is sourced from PubChem (CID 67449190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).