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

C14H21NO2S — CID 82743027

IUPAC1-(2,5-dimethylthiophen-3-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone
SMILESCc1cc(C(=O)CN(C)C2CCOC2C)c(C)s1
InChIInChI=1S/C14H21NO2S/c1-9-7-12(11(3)18-9)14(16)8-15(4)13-5-6-17-10(13)2/h7,10,13H,5-6,8H2,1-4H3
InChIKeyRHEOGYPPSRKTPD-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.66
Rot. Bonds4

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

1-(2,5-dimethylthiophen-3-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone (PubChem CID 82743027) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone
PubChem CID82743027
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone
SMILESCc1cc(C(=O)CN(C)C2CCOC2C)c(C)s1
InChIInChI=1S/C14H21NO2S/c1-9-7-12(11(3)18-9)14(16)8-15(4)13-5-6-17-10(13)2/h7,10,13H,5-6,8H2,1-4H3
InChIKeyRHEOGYPPSRKTPD-UHFFFAOYSA-N
XLogP2.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone (CID 82743027) is 1-(2,5-dimethylthiophen-3-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone is Cc1cc(C(=O)CN(C)C2CCOC2C)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone?
The InChIKey is RHEOGYPPSRKTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-9-7-12(11(3)18-9)14(16)8-15(4)13-5-6-17-10(13)2/h7,10,13H,5-6,8H2,1-4H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone?
1-(2,5-dimethylthiophen-3-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone has a molecular weight of 267.39 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone is sourced from PubChem (CID 82743027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).