4,5-dibromo-N-(2,6-dimethylpiperidin-1-yl)thiophene-2-carboxamide

C12H16Br2N2OS — CID 78906618

IUPAC4,5-dibromo-N-(2,6-dimethylpiperidin-1-yl)thiophene-2-carboxamide
SMILESCC1CCCC(C)N1NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H16Br2N2OS/c1-7-4-3-5-8(2)16(7)15-12(17)10-6-9(13)11(14)18-10/h6-8H,3-5H2,1-2H3,(H,15,17)
InChIKeyHFDNXJGIPVDCCC-UHFFFAOYSA-N
MW396.15 g/mol
LogP4.18
Rot. Bonds2

About 4,5-dibromo-N-(2,6-dimethylpiperidin-1-yl)thiophene-2-carboxamide

4,5-dibromo-N-(2,6-dimethylpiperidin-1-yl)thiophene-2-carboxamide (PubChem CID 78906618) has the molecular formula C12H16Br2N2OS and a molecular weight of 396.15 g/mol. Its IUPAC name is 4,5-dibromo-N-(2,6-dimethylpiperidin-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(2,6-dimethylpiperidin-1-yl)thiophene-2-carboxamide
PubChem CID78906618
Molecular FormulaC12H16Br2N2OS
Molecular Weight396.15 g/mol
Exact Mass393.94
IUPAC Name4,5-dibromo-N-(2,6-dimethylpiperidin-1-yl)thiophene-2-carboxamide
SMILESCC1CCCC(C)N1NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H16Br2N2OS/c1-7-4-3-5-8(2)16(7)15-12(17)10-6-9(13)11(14)18-10/h6-8H,3-5H2,1-2H3,(H,15,17)
InChIKeyHFDNXJGIPVDCCC-UHFFFAOYSA-N
XLogP4.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.15
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(2,6-dimethylpiperidin-1-yl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(2,6-dimethylpiperidin-1-yl)thiophene-2-carboxamide (CID 78906618) is 4,5-dibromo-N-(2,6-dimethylpiperidin-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(2,6-dimethylpiperidin-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(2,6-dimethylpiperidin-1-yl)thiophene-2-carboxamide is CC1CCCC(C)N1NC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(2,6-dimethylpiperidin-1-yl)thiophene-2-carboxamide?
The InChIKey is HFDNXJGIPVDCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2OS/c1-7-4-3-5-8(2)16(7)15-12(17)10-6-9(13)11(14)18-10/h6-8H,3-5H2,1-2H3,(H,15,17).
What are the key properties of 4,5-dibromo-N-(2,6-dimethylpiperidin-1-yl)thiophene-2-carboxamide?
4,5-dibromo-N-(2,6-dimethylpiperidin-1-yl)thiophene-2-carboxamide has a molecular weight of 396.15 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(2,6-dimethylpiperidin-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 78906618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).