1-(5-ethylthiophen-2-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone

C14H21NO2S — CID 82742156

IUPAC1-(5-ethylthiophen-2-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone
SMILESCCc1ccc(C(=O)CN(C)C2CCOC2C)s1
InChIInChI=1S/C14H21NO2S/c1-4-11-5-6-14(18-11)13(16)9-15(3)12-7-8-17-10(12)2/h5-6,10,12H,4,7-9H2,1-3H3
InChIKeyBFYKKRIHEJDOMR-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.60
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone

1-(5-ethylthiophen-2-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone (PubChem CID 82742156) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone
PubChem CID82742156
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-(5-ethylthiophen-2-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone
SMILESCCc1ccc(C(=O)CN(C)C2CCOC2C)s1
InChIInChI=1S/C14H21NO2S/c1-4-11-5-6-14(18-11)13(16)9-15(3)12-7-8-17-10(12)2/h5-6,10,12H,4,7-9H2,1-3H3
InChIKeyBFYKKRIHEJDOMR-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone (CID 82742156) is 1-(5-ethylthiophen-2-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone is CCc1ccc(C(=O)CN(C)C2CCOC2C)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone?
The InChIKey is BFYKKRIHEJDOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-4-11-5-6-14(18-11)13(16)9-15(3)12-7-8-17-10(12)2/h5-6,10,12H,4,7-9H2,1-3H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone?
1-(5-ethylthiophen-2-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone has a molecular weight of 267.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone is sourced from PubChem (CID 82742156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).