[4-(ethylamino)oxolan-3-yl]-(2-methylthiophen-3-yl)methanone

C12H17NO2S — CID 102839537

IUPAC[4-(ethylamino)oxolan-3-yl]-(2-methylthiophen-3-yl)methanone
SMILESCCNC1COCC1C(=O)c1ccsc1C
InChIInChI=1S/C12H17NO2S/c1-3-13-11-7-15-6-10(11)12(14)9-4-5-16-8(9)2/h4-5,10-11,13H,3,6-7H2,1-2H3
InChIKeyKCZOFVTWRYFZLP-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.86
Rot. Bonds4

About [4-(ethylamino)oxolan-3-yl]-(2-methylthiophen-3-yl)methanone

[4-(ethylamino)oxolan-3-yl]-(2-methylthiophen-3-yl)methanone (PubChem CID 102839537) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is [4-(ethylamino)oxolan-3-yl]-(2-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[4-(ethylamino)oxolan-3-yl]-(2-methylthiophen-3-yl)methanone
PubChem CID102839537
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name[4-(ethylamino)oxolan-3-yl]-(2-methylthiophen-3-yl)methanone
SMILESCCNC1COCC1C(=O)c1ccsc1C
InChIInChI=1S/C12H17NO2S/c1-3-13-11-7-15-6-10(11)12(14)9-4-5-16-8(9)2/h4-5,10-11,13H,3,6-7H2,1-2H3
InChIKeyKCZOFVTWRYFZLP-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)oxolan-3-yl]-(2-methylthiophen-3-yl)methanone?
The IUPAC name of [4-(ethylamino)oxolan-3-yl]-(2-methylthiophen-3-yl)methanone (CID 102839537) is [4-(ethylamino)oxolan-3-yl]-(2-methylthiophen-3-yl)methanone.
What is the SMILES notation for [4-(ethylamino)oxolan-3-yl]-(2-methylthiophen-3-yl)methanone?
The canonical SMILES for [4-(ethylamino)oxolan-3-yl]-(2-methylthiophen-3-yl)methanone is CCNC1COCC1C(=O)c1ccsc1C.
What is the InChIKey of [4-(ethylamino)oxolan-3-yl]-(2-methylthiophen-3-yl)methanone?
The InChIKey is KCZOFVTWRYFZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-3-13-11-7-15-6-10(11)12(14)9-4-5-16-8(9)2/h4-5,10-11,13H,3,6-7H2,1-2H3.
What are the key properties of [4-(ethylamino)oxolan-3-yl]-(2-methylthiophen-3-yl)methanone?
[4-(ethylamino)oxolan-3-yl]-(2-methylthiophen-3-yl)methanone has a molecular weight of 239.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)oxolan-3-yl]-(2-methylthiophen-3-yl)methanone is sourced from PubChem (CID 102839537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).