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

C11H14BrNO2S — CID 62030340

IUPAC1-(3-bromothiophen-2-yl)-2-[cyclopropyl(2-hydroxyethyl)amino]ethanone
SMILESO=C(CN(CCO)C1CC1)c1sccc1Br
InChIInChI=1S/C11H14BrNO2S/c12-9-3-6-16-11(9)10(15)7-13(4-5-14)8-1-2-8/h3,6,8,14H,1-2,4-5,7H2
InChIKeyXWWRERQLJROFEK-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.15
Rot. Bonds6

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

1-(3-bromothiophen-2-yl)-2-[cyclopropyl(2-hydroxyethyl)amino]ethanone (PubChem CID 62030340) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-[cyclopropyl(2-hydroxyethyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-[cyclopropyl(2-hydroxyethyl)amino]ethanone
PubChem CID62030340
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name1-(3-bromothiophen-2-yl)-2-[cyclopropyl(2-hydroxyethyl)amino]ethanone
SMILESO=C(CN(CCO)C1CC1)c1sccc1Br
InChIInChI=1S/C11H14BrNO2S/c12-9-3-6-16-11(9)10(15)7-13(4-5-14)8-1-2-8/h3,6,8,14H,1-2,4-5,7H2
InChIKeyXWWRERQLJROFEK-UHFFFAOYSA-N
XLogP2.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromothiophen-2-yl)-2-[cyclopropyl(3-methylbutyl)amino]ethanone
CID 78974133
1-(3-bromothiophen-2-yl)-2-[piperidin-4-yl(propyl)amino]ethanone
CID 62028973
2-[[2-(3-bromothiophen-2-yl)-2-oxoethyl]-cyclopentylamino]acetamide
CID 62037421
2-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone
CID 62031099
3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
CID 63797804
2-[cyclobutyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone
CID 102864515
1-(4-bromophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone
CID 102864528
2-[(3-bromothiophene-2-carbonyl)-cyclopropylamino]acetic acid
CID 62034468
1-(3-bromo-4-methoxyphenyl)-2-[cyclopropyl(2-hydroxyethyl)amino]ethanone
CID 62030716
1-(3-bromothiophen-2-yl)-2-[methyl(oxolan-3-yl)amino]ethanone
CID 82742077
1-(3-bromothiophen-2-yl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone
CID 102632869
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-[cyclopropyl(2-hydroxyethyl)amino]ethanone?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-[cyclopropyl(2-hydroxyethyl)amino]ethanone (CID 62030340) is 1-(3-bromothiophen-2-yl)-2-[cyclopropyl(2-hydroxyethyl)amino]ethanone.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-[cyclopropyl(2-hydroxyethyl)amino]ethanone?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-[cyclopropyl(2-hydroxyethyl)amino]ethanone is O=C(CN(CCO)C1CC1)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-[cyclopropyl(2-hydroxyethyl)amino]ethanone?
The InChIKey is XWWRERQLJROFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c12-9-3-6-16-11(9)10(15)7-13(4-5-14)8-1-2-8/h3,6,8,14H,1-2,4-5,7H2.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-[cyclopropyl(2-hydroxyethyl)amino]ethanone?
1-(3-bromothiophen-2-yl)-2-[cyclopropyl(2-hydroxyethyl)amino]ethanone has a molecular weight of 304.21 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-[cyclopropyl(2-hydroxyethyl)amino]ethanone is sourced from PubChem (CID 62030340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).