5-amino-6-(4,5-dibromothiophen-2-yl)piperidin-2-one

C9H10Br2N2OS — CID 102844876

IUPAC5-amino-6-(4,5-dibromothiophen-2-yl)piperidin-2-one
SMILESNC1CCC(=O)NC1c1cc(Br)c(Br)s1
InChIInChI=1S/C9H10Br2N2OS/c10-4-3-6(15-9(4)11)8-5(12)1-2-7(14)13-8/h3,5,8H,1-2,12H2,(H,13,14)
InChIKeyXYAQCONETNFBFM-UHFFFAOYSA-N
MW354.07 g/mol
LogP2.55
Rot. Bonds1

About 5-amino-6-(4,5-dibromothiophen-2-yl)piperidin-2-one

5-amino-6-(4,5-dibromothiophen-2-yl)piperidin-2-one (PubChem CID 102844876) has the molecular formula C9H10Br2N2OS and a molecular weight of 354.07 g/mol. Its IUPAC name is 5-amino-6-(4,5-dibromothiophen-2-yl)piperidin-2-one.

Molecular Properties

Compound Name5-amino-6-(4,5-dibromothiophen-2-yl)piperidin-2-one
PubChem CID102844876
Molecular FormulaC9H10Br2N2OS
Molecular Weight354.07 g/mol
Exact Mass351.89
IUPAC Name5-amino-6-(4,5-dibromothiophen-2-yl)piperidin-2-one
SMILESNC1CCC(=O)NC1c1cc(Br)c(Br)s1
InChIInChI=1S/C9H10Br2N2OS/c10-4-3-6(15-9(4)11)8-5(12)1-2-7(14)13-8/h3,5,8H,1-2,12H2,(H,13,14)
InChIKeyXYAQCONETNFBFM-UHFFFAOYSA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.07
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-amino-6-(4,5-dibromothiophen-2-yl)piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-6-(3,5-dibromophenyl)piperidin-2-one
CID 91619282
(5S,6S)-5-amino-6-(4-bromophenyl)piperidin-2-one
CID 67311120
5-amino-6-(2-bromo-4,5-dimethoxyphenyl)piperidin-2-one
CID 64541449
4-amino-5-(4,5-dibromothiophen-2-yl)-1-methylpyrrolidin-2-one
CID 102844665
6-amino-1-tert-butyl-7-(4,5-dibromothiophen-2-yl)azepan-2-one
CID 102844711
(5R,6S)-5-amino-6-(3-fluorophenyl)piperidin-2-one
CID 95369037
5-amino-6-(3-chloro-4-methylphenyl)piperidin-2-one
CID 106818871
5-amino-6-(3-methylimidazol-4-yl)piperidin-2-one
CID 66118968
(2R)-2-(4,5-dibromothiophen-2-yl)pyrrolidine
CID 131001434
5-amino-6-(1,3-dimethylpyrazol-4-yl)piperidin-2-one
CID 83094336
5-amino-6-(4-propan-2-ylphenyl)piperidin-2-one
CID 64539749
5-amino-6-[4-(trifluoromethyl)phenyl]piperidin-2-one
CID 22106511

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(4,5-dibromothiophen-2-yl)piperidin-2-one?
The IUPAC name of 5-amino-6-(4,5-dibromothiophen-2-yl)piperidin-2-one (CID 102844876) is 5-amino-6-(4,5-dibromothiophen-2-yl)piperidin-2-one.
What is the SMILES notation for 5-amino-6-(4,5-dibromothiophen-2-yl)piperidin-2-one?
The canonical SMILES for 5-amino-6-(4,5-dibromothiophen-2-yl)piperidin-2-one is NC1CCC(=O)NC1c1cc(Br)c(Br)s1.
What is the InChIKey of 5-amino-6-(4,5-dibromothiophen-2-yl)piperidin-2-one?
The InChIKey is XYAQCONETNFBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2N2OS/c10-4-3-6(15-9(4)11)8-5(12)1-2-7(14)13-8/h3,5,8H,1-2,12H2,(H,13,14).
What are the key properties of 5-amino-6-(4,5-dibromothiophen-2-yl)piperidin-2-one?
5-amino-6-(4,5-dibromothiophen-2-yl)piperidin-2-one has a molecular weight of 354.07 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(4,5-dibromothiophen-2-yl)piperidin-2-one is sourced from PubChem (CID 102844876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).