1-(3-bromothiophen-2-yl)-2-[cyclopropyl(3-methylbutyl)amino]ethanone

C14H20BrNOS — CID 78974133

IUPAC1-(3-bromothiophen-2-yl)-2-[cyclopropyl(3-methylbutyl)amino]ethanone
SMILESCC(C)CCN(CC(=O)c1sccc1Br)C1CC1
InChIInChI=1S/C14H20BrNOS/c1-10(2)5-7-16(11-3-4-11)9-13(17)14-12(15)6-8-18-14/h6,8,10-11H,3-5,7,9H2,1-2H3
InChIKeyMZJHLVQWLUZBRW-UHFFFAOYSA-N
MW330.29 g/mol
LogP4.20
Rot. Bonds7

About 1-(3-bromothiophen-2-yl)-2-[cyclopropyl(3-methylbutyl)amino]ethanone

1-(3-bromothiophen-2-yl)-2-[cyclopropyl(3-methylbutyl)amino]ethanone (PubChem CID 78974133) has the molecular formula C14H20BrNOS and a molecular weight of 330.29 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-[cyclopropyl(3-methylbutyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-[cyclopropyl(3-methylbutyl)amino]ethanone
PubChem CID78974133
Molecular FormulaC14H20BrNOS
Molecular Weight330.29 g/mol
Exact Mass329.04
IUPAC Name1-(3-bromothiophen-2-yl)-2-[cyclopropyl(3-methylbutyl)amino]ethanone
SMILESCC(C)CCN(CC(=O)c1sccc1Br)C1CC1
InChIInChI=1S/C14H20BrNOS/c1-10(2)5-7-16(11-3-4-11)9-13(17)14-12(15)6-8-18-14/h6,8,10-11H,3-5,7,9H2,1-2H3
InChIKeyMZJHLVQWLUZBRW-UHFFFAOYSA-N
XLogP4.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-[cyclopropyl(3-methylbutyl)amino]ethanone?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-[cyclopropyl(3-methylbutyl)amino]ethanone (CID 78974133) is 1-(3-bromothiophen-2-yl)-2-[cyclopropyl(3-methylbutyl)amino]ethanone.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-[cyclopropyl(3-methylbutyl)amino]ethanone?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-[cyclopropyl(3-methylbutyl)amino]ethanone is CC(C)CCN(CC(=O)c1sccc1Br)C1CC1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-[cyclopropyl(3-methylbutyl)amino]ethanone?
The InChIKey is MZJHLVQWLUZBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNOS/c1-10(2)5-7-16(11-3-4-11)9-13(17)14-12(15)6-8-18-14/h6,8,10-11H,3-5,7,9H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-[cyclopropyl(3-methylbutyl)amino]ethanone?
1-(3-bromothiophen-2-yl)-2-[cyclopropyl(3-methylbutyl)amino]ethanone has a molecular weight of 330.29 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-[cyclopropyl(3-methylbutyl)amino]ethanone is sourced from PubChem (CID 78974133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).