1-(1-piperidin-1-ylpropan-2-yl)-2H-tetrazole-5-thione

C9H17N5S — CID 61499907

IUPAC1-(1-piperidin-1-ylpropan-2-yl)-2H-tetrazole-5-thione
SMILESCC(CN1CCCCC1)n1[nH]nnc1=S
InChIInChI=1S/C9H17N5S/c1-8(14-9(15)10-11-12-14)7-13-5-3-2-4-6-13/h8H,2-7H2,1H3,(H,10,12,15)
InChIKeyDDJRBXRYCJDYDQ-UHFFFAOYSA-N
MW227.34 g/mol
LogP1.38
Rot. Bonds3

About 1-(1-piperidin-1-ylpropan-2-yl)-2H-tetrazole-5-thione

1-(1-piperidin-1-ylpropan-2-yl)-2H-tetrazole-5-thione (PubChem CID 61499907) has the molecular formula C9H17N5S and a molecular weight of 227.34 g/mol. Its IUPAC name is 1-(1-piperidin-1-ylpropan-2-yl)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(1-piperidin-1-ylpropan-2-yl)-2H-tetrazole-5-thione
PubChem CID61499907
Molecular FormulaC9H17N5S
Molecular Weight227.34 g/mol
Exact Mass227.12
IUPAC Name1-(1-piperidin-1-ylpropan-2-yl)-2H-tetrazole-5-thione
SMILESCC(CN1CCCCC1)n1[nH]nnc1=S
InChIInChI=1S/C9H17N5S/c1-8(14-9(15)10-11-12-14)7-13-5-3-2-4-6-13/h8H,2-7H2,1H3,(H,10,12,15)
InChIKeyDDJRBXRYCJDYDQ-UHFFFAOYSA-N
XLogP1.38
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.34
LogP ≤ 51.38
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-[2-(4-methylpiperazin-1-yl)ethyl]-2H-tetrazole-5-thione
CID 12802959
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
1-[2-(dibutylamino)ethyl]-2H-tetrazole-5-thione
CID 53855670
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-(1-methylpiperidin-4-yl)ethyl]-2H-tetrazole-5-thione
CID 67449190

Frequently Asked Questions

What is the IUPAC name of 1-(1-piperidin-1-ylpropan-2-yl)-2H-tetrazole-5-thione?
The IUPAC name of 1-(1-piperidin-1-ylpropan-2-yl)-2H-tetrazole-5-thione (CID 61499907) is 1-(1-piperidin-1-ylpropan-2-yl)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(1-piperidin-1-ylpropan-2-yl)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(1-piperidin-1-ylpropan-2-yl)-2H-tetrazole-5-thione is CC(CN1CCCCC1)n1[nH]nnc1=S.
What is the InChIKey of 1-(1-piperidin-1-ylpropan-2-yl)-2H-tetrazole-5-thione?
The InChIKey is DDJRBXRYCJDYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5S/c1-8(14-9(15)10-11-12-14)7-13-5-3-2-4-6-13/h8H,2-7H2,1H3,(H,10,12,15).
What are the key properties of 1-(1-piperidin-1-ylpropan-2-yl)-2H-tetrazole-5-thione?
1-(1-piperidin-1-ylpropan-2-yl)-2H-tetrazole-5-thione has a molecular weight of 227.34 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperidin-1-ylpropan-2-yl)-2H-tetrazole-5-thione is sourced from PubChem (CID 61499907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).