2-[cyclohexyl(2-hydroxyethyl)amino]-1-(5-methylthiophen-2-yl)ethanone

C15H23NO2S — CID 62035131

IUPAC2-[cyclohexyl(2-hydroxyethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CN(CCO)C2CCCCC2)s1
InChIInChI=1S/C15H23NO2S/c1-12-7-8-15(19-12)14(18)11-16(9-10-17)13-5-3-2-4-6-13/h7-8,13,17H,2-6,9-11H2,1H3
InChIKeyBEUGAJPVIXSYRY-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.87
Rot. Bonds6

About 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(5-methylthiophen-2-yl)ethanone

2-[cyclohexyl(2-hydroxyethyl)amino]-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 62035131) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-[cyclohexyl(2-hydroxyethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
PubChem CID62035131
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-[cyclohexyl(2-hydroxyethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CN(CCO)C2CCCCC2)s1
InChIInChI=1S/C15H23NO2S/c1-12-7-8-15(19-12)14(18)11-16(9-10-17)13-5-3-2-4-6-13/h7-8,13,17H,2-6,9-11H2,1H3
InChIKeyBEUGAJPVIXSYRY-UHFFFAOYSA-N
XLogP2.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-[cyclopentyl(2-hydroxyethyl)amino]ethanone
CID 62037060
1-(5-chlorothiophen-2-yl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone
CID 102864555
2-[cyclobutyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone
CID 102864515
2-cyclohexyl-1-(5-methylthiophen-2-yl)ethanone
CID 43160755
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 62035518
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone
CID 62034936
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 62030109
2-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone
CID 62031099
2-[cyclobutyl(2-hydroxyethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 102864574
2-[cyclobutyl(2-hydroxyethyl)amino]-N-cyclohexyl-N-methylacetamide
CID 102676811
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 62037838
N-cyclohexyl-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 60774513

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(5-methylthiophen-2-yl)ethanone (CID 62035131) is 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(5-methylthiophen-2-yl)ethanone is Cc1ccc(C(=O)CN(CCO)C2CCCCC2)s1.
What is the InChIKey of 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is BEUGAJPVIXSYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-12-7-8-15(19-12)14(18)11-16(9-10-17)13-5-3-2-4-6-13/h7-8,13,17H,2-6,9-11H2,1H3.
What are the key properties of 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(5-methylthiophen-2-yl)ethanone?
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 281.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 62035131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).