1-(3-bromothiophen-2-yl)-2-[methyl(oxolan-3-yl)amino]ethanone

C11H14BrNO2S — CID 82742077

IUPAC1-(3-bromothiophen-2-yl)-2-[methyl(oxolan-3-yl)amino]ethanone
SMILESCN(CC(=O)c1sccc1Br)C1CCOC1
InChIInChI=1S/C11H14BrNO2S/c1-13(8-2-4-15-7-8)6-10(14)11-9(12)3-5-16-11/h3,5,8H,2,4,6-7H2,1H3
InChIKeyGBNFUHXRUCOPDU-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.41
Rot. Bonds4

About 1-(3-bromothiophen-2-yl)-2-[methyl(oxolan-3-yl)amino]ethanone

1-(3-bromothiophen-2-yl)-2-[methyl(oxolan-3-yl)amino]ethanone (PubChem CID 82742077) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-[methyl(oxolan-3-yl)amino]ethanone.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-[methyl(oxolan-3-yl)amino]ethanone
PubChem CID82742077
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name1-(3-bromothiophen-2-yl)-2-[methyl(oxolan-3-yl)amino]ethanone
SMILESCN(CC(=O)c1sccc1Br)C1CCOC1
InChIInChI=1S/C11H14BrNO2S/c1-13(8-2-4-15-7-8)6-10(14)11-9(12)3-5-16-11/h3,5,8H,2,4,6-7H2,1H3
InChIKeyGBNFUHXRUCOPDU-UHFFFAOYSA-N
XLogP2.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromothiophen-2-yl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone
CID 102632869
3-[[methyl(oxolan-3-yl)amino]methyl]thiophene-2-carboxylic acid
CID 82742607
2-[[2-(3-bromothiophen-2-yl)-2-oxoethyl]-cyclopentylamino]acetamide
CID 62037421
1-(3-bromothiophen-2-yl)-2-[cyclopropyl(2-hydroxyethyl)amino]ethanone
CID 62030340
3-bromo-N-methyl-N-(oxan-3-ylmethyl)thiophene-2-carboxamide
CID 63717719
1-(3-bromothiophen-2-yl)-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanone
CID 63236769
1-(3-bromothiophen-2-yl)-2-[cyclopropyl(3-methylbutyl)amino]ethanone
CID 78974133
2-[methyl(oxolan-3-yl)amino]-1-(4-nitrophenyl)ethanone
CID 82742955
1-(3-bromothiophen-2-yl)-2-[piperidin-4-yl(propyl)amino]ethanone
CID 62028973
4-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103244
3-bromo-N,N-dicyclopentylthiophene-2-carboxamide
CID 60619670
1-(3-bromothiophen-2-yl)-2-(cyclopropylamino)ethanone
CID 116555084

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-[methyl(oxolan-3-yl)amino]ethanone?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-[methyl(oxolan-3-yl)amino]ethanone (CID 82742077) is 1-(3-bromothiophen-2-yl)-2-[methyl(oxolan-3-yl)amino]ethanone.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-[methyl(oxolan-3-yl)amino]ethanone?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-[methyl(oxolan-3-yl)amino]ethanone is CN(CC(=O)c1sccc1Br)C1CCOC1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-[methyl(oxolan-3-yl)amino]ethanone?
The InChIKey is GBNFUHXRUCOPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c1-13(8-2-4-15-7-8)6-10(14)11-9(12)3-5-16-11/h3,5,8H,2,4,6-7H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-[methyl(oxolan-3-yl)amino]ethanone?
1-(3-bromothiophen-2-yl)-2-[methyl(oxolan-3-yl)amino]ethanone has a molecular weight of 304.21 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-[methyl(oxolan-3-yl)amino]ethanone is sourced from PubChem (CID 82742077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).