1-(2,5-dibromothiophen-3-yl)-2-[methyl(3-methylbutyl)amino]ethanone

C12H17Br2NOS — CID 61428681

IUPAC1-(2,5-dibromothiophen-3-yl)-2-[methyl(3-methylbutyl)amino]ethanone
SMILESCC(C)CCN(C)CC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C12H17Br2NOS/c1-8(2)4-5-15(3)7-10(16)9-6-11(13)17-12(9)14/h6,8H,4-5,7H2,1-3H3
InChIKeyRPJLHUHQHUBVNV-UHFFFAOYSA-N
MW383.15 g/mol
LogP4.43
Rot. Bonds6

About 1-(2,5-dibromothiophen-3-yl)-2-[methyl(3-methylbutyl)amino]ethanone

1-(2,5-dibromothiophen-3-yl)-2-[methyl(3-methylbutyl)amino]ethanone (PubChem CID 61428681) has the molecular formula C12H17Br2NOS and a molecular weight of 383.15 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-[methyl(3-methylbutyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-[methyl(3-methylbutyl)amino]ethanone
PubChem CID61428681
Molecular FormulaC12H17Br2NOS
Molecular Weight383.15 g/mol
Exact Mass380.94
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-[methyl(3-methylbutyl)amino]ethanone
SMILESCC(C)CCN(C)CC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C12H17Br2NOS/c1-8(2)4-5-15(3)7-10(16)9-6-11(13)17-12(9)14/h6,8H,4-5,7H2,1-3H3
InChIKeyRPJLHUHQHUBVNV-UHFFFAOYSA-N
XLogP4.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.15
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2-methylpropyl)amino]ethanone
CID 43795861
2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone
CID 55002081
1-(2,5-dibromothiophen-3-yl)-2-[ethyl(propyl)amino]ethanone
CID 43795311
1-(2,5-dibromothiophen-3-yl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone
CID 63273674
1-(2,5-dibromothiophen-3-yl)-2-(N-methylanilino)ethanone
CID 43227438
1-(2,4-dihydroxyphenyl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61429345
1-(2,5-dibromothiophen-3-yl)-2-(2-methylpropylsulfonyl)ethanone
CID 64641624
2-[methyl(3-methylbutyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 61429349
2,5-dibromo-N-(2-chloropropyl)-N-methylthiophene-3-carboxamide
CID 107965873
1-(2,5-dibromothiophen-3-yl)-2-(4-methylpentan-2-yloxy)ethanone
CID 43799081
1-(2,5-dibromothiophen-3-yl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79318977
1-(5-chlorothiophen-2-yl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61428736

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-[methyl(3-methylbutyl)amino]ethanone?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-[methyl(3-methylbutyl)amino]ethanone (CID 61428681) is 1-(2,5-dibromothiophen-3-yl)-2-[methyl(3-methylbutyl)amino]ethanone.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-[methyl(3-methylbutyl)amino]ethanone?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-[methyl(3-methylbutyl)amino]ethanone is CC(C)CCN(C)CC(=O)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-[methyl(3-methylbutyl)amino]ethanone?
The InChIKey is RPJLHUHQHUBVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2NOS/c1-8(2)4-5-15(3)7-10(16)9-6-11(13)17-12(9)14/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-[methyl(3-methylbutyl)amino]ethanone?
1-(2,5-dibromothiophen-3-yl)-2-[methyl(3-methylbutyl)amino]ethanone has a molecular weight of 383.15 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-[methyl(3-methylbutyl)amino]ethanone is sourced from PubChem (CID 61428681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).