1-(5-ethylthiophen-2-yl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone

C15H23NO2S — CID 114950449

IUPAC1-(5-ethylthiophen-2-yl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
SMILESCCc1ccc(C(=O)CN(C)CC2(O)CCCC2)s1
InChIInChI=1S/C15H23NO2S/c1-3-12-6-7-14(19-12)13(17)10-16(2)11-15(18)8-4-5-9-15/h6-7,18H,3-5,8-11H2,1-2H3
InChIKeyFDEGBLSFBJYLOX-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.73
Rot. Bonds6

About 1-(5-ethylthiophen-2-yl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone

1-(5-ethylthiophen-2-yl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone (PubChem CID 114950449) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
PubChem CID114950449
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name1-(5-ethylthiophen-2-yl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
SMILESCCc1ccc(C(=O)CN(C)CC2(O)CCCC2)s1
InChIInChI=1S/C15H23NO2S/c1-3-12-6-7-14(19-12)13(17)10-16(2)11-15(18)8-4-5-9-15/h6-7,18H,3-5,8-11H2,1-2H3
InChIKeyFDEGBLSFBJYLOX-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclobutylmethyl(methyl)amino]-1-(5-ethylthiophen-2-yl)ethanone
CID 62860809
2-[2-(dimethylamino)ethyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone
CID 55225801
1-(5-ethylthiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone
CID 62051366
1-(5-ethylthiophen-2-yl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone
CID 54999645
1-(4-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 114950412
2-[(2-bromophenyl)methyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone
CID 62036144
1-(5-ethylthiophen-2-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79485722
1-(3-chlorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 114950454
1-(5-ethylthiophen-2-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone
CID 43228072
2-[ethyl(oxolan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone
CID 61434836
1-(5-ethylthiophen-2-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone
CID 82742156
1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-one
CID 115780489

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone (CID 114950449) is 1-(5-ethylthiophen-2-yl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone is CCc1ccc(C(=O)CN(C)CC2(O)CCCC2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone?
The InChIKey is FDEGBLSFBJYLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-12-6-7-14(19-12)13(17)10-16(2)11-15(18)8-4-5-9-15/h6-7,18H,3-5,8-11H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone?
1-(5-ethylthiophen-2-yl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone has a molecular weight of 281.42 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone is sourced from PubChem (CID 114950449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).