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

C15H14Br2N2OS — CID 107960668

IUPAC5-[(2,5-dibromothiophen-3-yl)-(methylamino)methyl]-1-methyl-3H-indol-2-one
SMILESCNC(c1ccc2c(c1)CC(=O)N2C)c1cc(Br)sc1Br
InChIInChI=1S/C15H14Br2N2OS/c1-18-14(10-7-12(16)21-15(10)17)8-3-4-11-9(5-8)6-13(20)19(11)2/h3-5,7,14,18H,6H2,1-2H3
InChIKeyAWRLIMHLEMZAQW-UHFFFAOYSA-N
MW430.17 g/mol
LogP4.10
Rot. Bonds3

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

5-[(2,5-dibromothiophen-3-yl)-(methylamino)methyl]-1-methyl-3H-indol-2-one (PubChem CID 107960668) has the molecular formula C15H14Br2N2OS and a molecular weight of 430.17 g/mol. Its IUPAC name is 5-[(2,5-dibromothiophen-3-yl)-(methylamino)methyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[(2,5-dibromothiophen-3-yl)-(methylamino)methyl]-1-methyl-3H-indol-2-one
PubChem CID107960668
Molecular FormulaC15H14Br2N2OS
Molecular Weight430.17 g/mol
Exact Mass427.92
IUPAC Name5-[(2,5-dibromothiophen-3-yl)-(methylamino)methyl]-1-methyl-3H-indol-2-one
SMILESCNC(c1ccc2c(c1)CC(=O)N2C)c1cc(Br)sc1Br
InChIInChI=1S/C15H14Br2N2OS/c1-18-14(10-7-12(16)21-15(10)17)8-3-4-11-9(5-8)6-13(20)19(11)2/h3-5,7,14,18H,6H2,1-2H3
InChIKeyAWRLIMHLEMZAQW-UHFFFAOYSA-N
XLogP4.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.17
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-iodophenyl)-(methylamino)methyl]-1-methyl-3H-indol-2-one
CID 43485198
1-methyl-5-[methylamino(thiophen-3-yl)methyl]-3H-indol-2-one
CID 43485165
1-(2,5-dibromothiophen-3-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 43486904
5-(1-bromo-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 61098137
5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one
CID 116932459
5-(1-chloroethyl)-1-methyl-3H-indol-2-one
CID 61084186
5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
CID 82758338
5-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-1-methyl-3H-indol-2-one
CID 79997257
5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 61087220
5-(1-bromo-2,2,2-trifluoroethyl)-1-methyl-3H-indol-2-one
CID 61097937
1-methyl-5-[1-(methylamino)-2-phenylethyl]-3H-indol-2-one
CID 43485221
1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 107968253

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dibromothiophen-3-yl)-(methylamino)methyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[(2,5-dibromothiophen-3-yl)-(methylamino)methyl]-1-methyl-3H-indol-2-one (CID 107960668) is 5-[(2,5-dibromothiophen-3-yl)-(methylamino)methyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[(2,5-dibromothiophen-3-yl)-(methylamino)methyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[(2,5-dibromothiophen-3-yl)-(methylamino)methyl]-1-methyl-3H-indol-2-one is CNC(c1ccc2c(c1)CC(=O)N2C)c1cc(Br)sc1Br.
What is the InChIKey of 5-[(2,5-dibromothiophen-3-yl)-(methylamino)methyl]-1-methyl-3H-indol-2-one?
The InChIKey is AWRLIMHLEMZAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2OS/c1-18-14(10-7-12(16)21-15(10)17)8-3-4-11-9(5-8)6-13(20)19(11)2/h3-5,7,14,18H,6H2,1-2H3.
What are the key properties of 5-[(2,5-dibromothiophen-3-yl)-(methylamino)methyl]-1-methyl-3H-indol-2-one?
5-[(2,5-dibromothiophen-3-yl)-(methylamino)methyl]-1-methyl-3H-indol-2-one has a molecular weight of 430.17 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dibromothiophen-3-yl)-(methylamino)methyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 107960668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).