1-(5-chlorothiophen-2-yl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone

C12H16ClNO2S — CID 102864555

IUPAC1-(5-chlorothiophen-2-yl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone
SMILESO=C(CN(CCO)C1CCC1)c1ccc(Cl)s1
InChIInChI=1S/C12H16ClNO2S/c13-12-5-4-11(17-12)10(16)8-14(6-7-15)9-2-1-3-9/h4-5,9,15H,1-3,6-8H2
InChIKeyJBVDJRKYXSVYDL-UHFFFAOYSA-N
MW273.78 g/mol
LogP2.43
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone

1-(5-chlorothiophen-2-yl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone (PubChem CID 102864555) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone
PubChem CID102864555
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC Name1-(5-chlorothiophen-2-yl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone
SMILESO=C(CN(CCO)C1CCC1)c1ccc(Cl)s1
InChIInChI=1S/C12H16ClNO2S/c13-12-5-4-11(17-12)10(16)8-14(6-7-15)9-2-1-3-9/h4-5,9,15H,1-3,6-8H2
InChIKeyJBVDJRKYXSVYDL-UHFFFAOYSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone (CID 102864555) is 1-(5-chlorothiophen-2-yl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone is O=C(CN(CCO)C1CCC1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone?
The InChIKey is JBVDJRKYXSVYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c13-12-5-4-11(17-12)10(16)8-14(6-7-15)9-2-1-3-9/h4-5,9,15H,1-3,6-8H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone?
1-(5-chlorothiophen-2-yl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone has a molecular weight of 273.78 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone is sourced from PubChem (CID 102864555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).