methyl 6-oxo-5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylate

C12H13N5O3S — CID 11324251

IUPACmethyl 6-oxo-5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCC(n2nnc(-c3cccs3)n2)C(=O)N1
InChIInChI=1S/C12H13N5O3S/c1-20-12(19)7-4-5-8(11(18)13-7)17-15-10(14-16-17)9-3-2-6-21-9/h2-3,6-8H,4-5H2,1H3,(H,13,18)
InChIKeyWLMARFYLCONPIY-UHFFFAOYSA-N
MW307.33 g/mol
LogP0.39
Rot. Bonds3

About methyl 6-oxo-5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylate

methyl 6-oxo-5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylate (PubChem CID 11324251) has the molecular formula C12H13N5O3S and a molecular weight of 307.33 g/mol. Its IUPAC name is methyl 6-oxo-5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-oxo-5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylate
PubChem CID11324251
Molecular FormulaC12H13N5O3S
Molecular Weight307.33 g/mol
Exact Mass307.07
IUPAC Namemethyl 6-oxo-5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCC(n2nnc(-c3cccs3)n2)C(=O)N1
InChIInChI=1S/C12H13N5O3S/c1-20-12(19)7-4-5-8(11(18)13-7)17-15-10(14-16-17)9-3-2-6-21-9/h2-3,6-8H,4-5H2,1H3,(H,13,18)
InChIKeyWLMARFYLCONPIY-UHFFFAOYSA-N
XLogP0.39
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 6-oxo-5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylate?
The IUPAC name of methyl 6-oxo-5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylate (CID 11324251) is methyl 6-oxo-5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 6-oxo-5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylate?
The canonical SMILES for methyl 6-oxo-5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylate is COC(=O)C1CCC(n2nnc(-c3cccs3)n2)C(=O)N1.
What is the InChIKey of methyl 6-oxo-5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylate?
The InChIKey is WLMARFYLCONPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3S/c1-20-12(19)7-4-5-8(11(18)13-7)17-15-10(14-16-17)9-3-2-6-21-9/h2-3,6-8H,4-5H2,1H3,(H,13,18).
What are the key properties of methyl 6-oxo-5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylate?
methyl 6-oxo-5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylate has a molecular weight of 307.33 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-oxo-5-(5-thiophen-2-yltetrazol-2-yl)piperidine-2-carboxylate is sourced from PubChem (CID 11324251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).