N-(6-oxopiperidin-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide

C11H12N6O2S — CID 62491426

IUPACN-(6-oxopiperidin-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESO=C1CCC(NC(=O)c2sccc2-n2cnnn2)CN1
InChIInChI=1S/C11H12N6O2S/c18-9-2-1-7(5-12-9)14-11(19)10-8(3-4-20-10)17-6-13-15-16-17/h3-4,6-7H,1-2,5H2,(H,12,18)(H,14,19)
InChIKeySFLQFKOYDCVEJB-UHFFFAOYSA-N
MW292.32 g/mol
LogP-0.27
Rot. Bonds3

About N-(6-oxopiperidin-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide

N-(6-oxopiperidin-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide (PubChem CID 62491426) has the molecular formula C11H12N6O2S and a molecular weight of 292.32 g/mol. Its IUPAC name is N-(6-oxopiperidin-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-oxopiperidin-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
PubChem CID62491426
Molecular FormulaC11H12N6O2S
Molecular Weight292.32 g/mol
Exact Mass292.07
IUPAC NameN-(6-oxopiperidin-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESO=C1CCC(NC(=O)c2sccc2-n2cnnn2)CN1
InChIInChI=1S/C11H12N6O2S/c18-9-2-1-7(5-12-9)14-11(19)10-8(3-4-20-10)17-6-13-15-16-17/h3-4,6-7H,1-2,5H2,(H,12,18)(H,14,19)
InChIKeySFLQFKOYDCVEJB-UHFFFAOYSA-N
XLogP-0.27
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-oxopiperidin-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-(6-oxopiperidin-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide (CID 62491426) is N-(6-oxopiperidin-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-oxopiperidin-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(6-oxopiperidin-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide is O=C1CCC(NC(=O)c2sccc2-n2cnnn2)CN1.
What is the InChIKey of N-(6-oxopiperidin-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The InChIKey is SFLQFKOYDCVEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O2S/c18-9-2-1-7(5-12-9)14-11(19)10-8(3-4-20-10)17-6-13-15-16-17/h3-4,6-7H,1-2,5H2,(H,12,18)(H,14,19).
What are the key properties of N-(6-oxopiperidin-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
N-(6-oxopiperidin-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide has a molecular weight of 292.32 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxopiperidin-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 62491426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).