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

C12H17NO2S — CID 102864515

IUPAC2-[cyclobutyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone
SMILESO=C(CN(CCO)C1CCC1)c1cccs1
InChIInChI=1S/C12H17NO2S/c14-7-6-13(10-3-1-4-10)9-11(15)12-5-2-8-16-12/h2,5,8,10,14H,1,3-4,6-7,9H2
InChIKeyKOLIGNPEWZFYKN-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.78
Rot. Bonds6

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

2-[cyclobutyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone (PubChem CID 102864515) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-[cyclobutyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[cyclobutyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone
PubChem CID102864515
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-[cyclobutyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone
SMILESO=C(CN(CCO)C1CCC1)c1cccs1
InChIInChI=1S/C12H17NO2S/c14-7-6-13(10-3-1-4-10)9-11(15)12-5-2-8-16-12/h2,5,8,10,14H,1,3-4,6-7,9H2
InChIKeyKOLIGNPEWZFYKN-UHFFFAOYSA-N
XLogP1.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone
CID 62031099
2-[butyl(cyclopropyl)amino]-1-thiophen-2-ylethanone
CID 61445444
4-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 62030910
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-[cyclohexyl(2-hydroxyethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 62035131
2-[cyclohexyl(2-hydroxyethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 60693909
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-thiophen-2-ylethanone
CID 62029916
2-[cyclohexyl(2-hydroxyethyl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 60694185
1-(3-bromothiophen-2-yl)-2-[cyclopropyl(2-hydroxyethyl)amino]ethanone
CID 62030340
1-(4-bromophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone
CID 102864528
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone
CID 62034936

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[cyclobutyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone (CID 102864515) is 2-[cyclobutyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[cyclobutyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[cyclobutyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone is O=C(CN(CCO)C1CCC1)c1cccs1.
What is the InChIKey of 2-[cyclobutyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone?
The InChIKey is KOLIGNPEWZFYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c14-7-6-13(10-3-1-4-10)9-11(15)12-5-2-8-16-12/h2,5,8,10,14H,1,3-4,6-7,9H2.
What are the key properties of 2-[cyclobutyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone?
2-[cyclobutyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone has a molecular weight of 239.34 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone is sourced from PubChem (CID 102864515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).