2-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone

C11H15NO2S — CID 62031099

IUPAC2-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone
SMILESO=C(CN(CCO)C1CC1)c1cccs1
InChIInChI=1S/C11H15NO2S/c13-6-5-12(9-3-4-9)8-10(14)11-2-1-7-15-11/h1-2,7,9,13H,3-6,8H2
InChIKeyQCRWHBUXSFLUCR-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.39
Rot. Bonds6

About 2-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone

2-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone (PubChem CID 62031099) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone
PubChem CID62031099
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone
SMILESO=C(CN(CCO)C1CC1)c1cccs1
InChIInChI=1S/C11H15NO2S/c13-6-5-12(9-3-4-9)8-10(14)11-2-1-7-15-11/h1-2,7,9,13H,3-6,8H2
InChIKeyQCRWHBUXSFLUCR-UHFFFAOYSA-N
XLogP1.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclobutyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone
CID 102864515
2-[butyl(cyclopropyl)amino]-1-thiophen-2-ylethanone
CID 61445444
4-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 62030910
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-thiophen-2-ylethanone
CID 62029916
1-(3-bromothiophen-2-yl)-2-[cyclopropyl(2-hydroxyethyl)amino]ethanone
CID 62030340
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 60967061
1-(5-chlorothiophen-2-yl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone
CID 102864555
1-(5-chlorothiophen-2-yl)-2-[cyclopentyl(2-hydroxyethyl)amino]ethanone
CID 62037060
2-[methyl(piperidin-4-yl)amino]-1-thiophen-2-ylethanone
CID 62030561
N-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 43577077
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 62035131
2-[cyclohexyl(2-hydroxyethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 60693909

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone (CID 62031099) is 2-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone is O=C(CN(CCO)C1CC1)c1cccs1.
What is the InChIKey of 2-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone?
The InChIKey is QCRWHBUXSFLUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c13-6-5-12(9-3-4-9)8-10(14)11-2-1-7-15-11/h1-2,7,9,13H,3-6,8H2.
What are the key properties of 2-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone?
2-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone has a molecular weight of 225.31 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone is sourced from PubChem (CID 62031099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).