5-[amino-(2,5-dibromothiophen-3-yl)methyl]-3,3-dimethyl-1H-indol-2-one

C15H14Br2N2OS — CID 107961168

IUPAC5-[amino-(2,5-dibromothiophen-3-yl)methyl]-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(C(N)c3cc(Br)sc3Br)cc21
InChIInChI=1S/C15H14Br2N2OS/c1-15(2)9-5-7(3-4-10(9)19-14(15)20)12(18)8-6-11(16)21-13(8)17/h3-6,12H,18H2,1-2H3,(H,19,20)
InChIKeyXDOYBUMFDDNEFW-UHFFFAOYSA-N
MW430.17 g/mol
LogP4.55
Rot. Bonds2

About 5-[amino-(2,5-dibromothiophen-3-yl)methyl]-3,3-dimethyl-1H-indol-2-one

5-[amino-(2,5-dibromothiophen-3-yl)methyl]-3,3-dimethyl-1H-indol-2-one (PubChem CID 107961168) has the molecular formula C15H14Br2N2OS and a molecular weight of 430.17 g/mol. Its IUPAC name is 5-[amino-(2,5-dibromothiophen-3-yl)methyl]-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-[amino-(2,5-dibromothiophen-3-yl)methyl]-3,3-dimethyl-1H-indol-2-one
PubChem CID107961168
Molecular FormulaC15H14Br2N2OS
Molecular Weight430.17 g/mol
Exact Mass427.92
IUPAC Name5-[amino-(2,5-dibromothiophen-3-yl)methyl]-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(C(N)c3cc(Br)sc3Br)cc21
InChIInChI=1S/C15H14Br2N2OS/c1-15(2)9-5-7(3-4-10(9)19-14(15)20)12(18)8-6-11(16)21-13(8)17/h3-6,12H,18H2,1-2H3,(H,19,20)
InChIKeyXDOYBUMFDDNEFW-UHFFFAOYSA-N
XLogP4.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.17
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[amino-(2,5-dibromothiophen-3-yl)methyl]-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-[amino-(2,5-dibromothiophen-3-yl)methyl]-3,3-dimethyl-1H-indol-2-one (CID 107961168) is 5-[amino-(2,5-dibromothiophen-3-yl)methyl]-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-[amino-(2,5-dibromothiophen-3-yl)methyl]-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-[amino-(2,5-dibromothiophen-3-yl)methyl]-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2ccc(C(N)c3cc(Br)sc3Br)cc21.
What is the InChIKey of 5-[amino-(2,5-dibromothiophen-3-yl)methyl]-3,3-dimethyl-1H-indol-2-one?
The InChIKey is XDOYBUMFDDNEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2OS/c1-15(2)9-5-7(3-4-10(9)19-14(15)20)12(18)8-6-11(16)21-13(8)17/h3-6,12H,18H2,1-2H3,(H,19,20).
What are the key properties of 5-[amino-(2,5-dibromothiophen-3-yl)methyl]-3,3-dimethyl-1H-indol-2-one?
5-[amino-(2,5-dibromothiophen-3-yl)methyl]-3,3-dimethyl-1H-indol-2-one has a molecular weight of 430.17 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(2,5-dibromothiophen-3-yl)methyl]-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 107961168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).