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

C11H15NO2S — CID 102839369

IUPAC[4-(methylamino)oxolan-3-yl]-(2-methylthiophen-3-yl)methanone
SMILESCNC1COCC1C(=O)c1ccsc1C
InChIInChI=1S/C11H15NO2S/c1-7-8(3-4-15-7)11(13)9-5-14-6-10(9)12-2/h3-4,9-10,12H,5-6H2,1-2H3
InChIKeyAVTCNJTYCCDODZ-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.47
Rot. Bonds3

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

[4-(methylamino)oxolan-3-yl]-(2-methylthiophen-3-yl)methanone (PubChem CID 102839369) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is [4-(methylamino)oxolan-3-yl]-(2-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[4-(methylamino)oxolan-3-yl]-(2-methylthiophen-3-yl)methanone
PubChem CID102839369
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name[4-(methylamino)oxolan-3-yl]-(2-methylthiophen-3-yl)methanone
SMILESCNC1COCC1C(=O)c1ccsc1C
InChIInChI=1S/C11H15NO2S/c1-7-8(3-4-15-7)11(13)9-5-14-6-10(9)12-2/h3-4,9-10,12H,5-6H2,1-2H3
InChIKeyAVTCNJTYCCDODZ-UHFFFAOYSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)oxolan-3-yl]-(2-methylthiophen-3-yl)methanone?
The IUPAC name of [4-(methylamino)oxolan-3-yl]-(2-methylthiophen-3-yl)methanone (CID 102839369) is [4-(methylamino)oxolan-3-yl]-(2-methylthiophen-3-yl)methanone.
What is the SMILES notation for [4-(methylamino)oxolan-3-yl]-(2-methylthiophen-3-yl)methanone?
The canonical SMILES for [4-(methylamino)oxolan-3-yl]-(2-methylthiophen-3-yl)methanone is CNC1COCC1C(=O)c1ccsc1C.
What is the InChIKey of [4-(methylamino)oxolan-3-yl]-(2-methylthiophen-3-yl)methanone?
The InChIKey is AVTCNJTYCCDODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-7-8(3-4-15-7)11(13)9-5-14-6-10(9)12-2/h3-4,9-10,12H,5-6H2,1-2H3.
What are the key properties of [4-(methylamino)oxolan-3-yl]-(2-methylthiophen-3-yl)methanone?
[4-(methylamino)oxolan-3-yl]-(2-methylthiophen-3-yl)methanone has a molecular weight of 225.31 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)oxolan-3-yl]-(2-methylthiophen-3-yl)methanone is sourced from PubChem (CID 102839369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).