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

C13H19NO2S — CID 102839535

IUPAC(2-methylthiophen-3-yl)-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)c1ccsc1C
InChIInChI=1S/C13H19NO2S/c1-3-5-14-12-8-16-7-11(12)13(15)10-4-6-17-9(10)2/h4,6,11-12,14H,3,5,7-8H2,1-2H3
InChIKeySVTVKDRTKOBVGV-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.25
Rot. Bonds5

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

(2-methylthiophen-3-yl)-[4-(propylamino)oxolan-3-yl]methanone (PubChem CID 102839535) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is (2-methylthiophen-3-yl)-[4-(propylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Name(2-methylthiophen-3-yl)-[4-(propylamino)oxolan-3-yl]methanone
PubChem CID102839535
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name(2-methylthiophen-3-yl)-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)c1ccsc1C
InChIInChI=1S/C13H19NO2S/c1-3-5-14-12-8-16-7-11(12)13(15)10-4-6-17-9(10)2/h4,6,11-12,14H,3,5,7-8H2,1-2H3
InChIKeySVTVKDRTKOBVGV-UHFFFAOYSA-N
XLogP2.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylthiophen-3-yl)-[4-(propylamino)oxolan-3-yl]methanone?
The IUPAC name of (2-methylthiophen-3-yl)-[4-(propylamino)oxolan-3-yl]methanone (CID 102839535) is (2-methylthiophen-3-yl)-[4-(propylamino)oxolan-3-yl]methanone.
What is the SMILES notation for (2-methylthiophen-3-yl)-[4-(propylamino)oxolan-3-yl]methanone?
The canonical SMILES for (2-methylthiophen-3-yl)-[4-(propylamino)oxolan-3-yl]methanone is CCCNC1COCC1C(=O)c1ccsc1C.
What is the InChIKey of (2-methylthiophen-3-yl)-[4-(propylamino)oxolan-3-yl]methanone?
The InChIKey is SVTVKDRTKOBVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-3-5-14-12-8-16-7-11(12)13(15)10-4-6-17-9(10)2/h4,6,11-12,14H,3,5,7-8H2,1-2H3.
What are the key properties of (2-methylthiophen-3-yl)-[4-(propylamino)oxolan-3-yl]methanone?
(2-methylthiophen-3-yl)-[4-(propylamino)oxolan-3-yl]methanone has a molecular weight of 253.37 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiophen-3-yl)-[4-(propylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 102839535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).