(4-ethyl-5-methylthiophen-3-yl)-morpholin-4-ylmethanone

C12H17NO2S — CID 1246298

IUPAC(4-ethyl-5-methylthiophen-3-yl)-morpholin-4-ylmethanone
SMILESCCc1c(C(=O)N2CCOCC2)csc1C
InChIInChI=1S/C12H17NO2S/c1-3-10-9(2)16-8-11(10)12(14)13-4-6-15-7-5-13/h8H,3-7H2,1-2H3
InChIKeyWKSKKHXKNQVWNM-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.09
Rot. Bonds2

About (4-ethyl-5-methylthiophen-3-yl)-morpholin-4-ylmethanone

(4-ethyl-5-methylthiophen-3-yl)-morpholin-4-ylmethanone (PubChem CID 1246298) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is (4-ethyl-5-methylthiophen-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-ethyl-5-methylthiophen-3-yl)-morpholin-4-ylmethanone
PubChem CID1246298
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name(4-ethyl-5-methylthiophen-3-yl)-morpholin-4-ylmethanone
SMILESCCc1c(C(=O)N2CCOCC2)csc1C
InChIInChI=1S/C12H17NO2S/c1-3-10-9(2)16-8-11(10)12(14)13-4-6-15-7-5-13/h8H,3-7H2,1-2H3
InChIKeyWKSKKHXKNQVWNM-UHFFFAOYSA-N
XLogP2.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-5-methylthiophen-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-ethyl-5-methylthiophen-3-yl)-morpholin-4-ylmethanone (CID 1246298) is (4-ethyl-5-methylthiophen-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-ethyl-5-methylthiophen-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-ethyl-5-methylthiophen-3-yl)-morpholin-4-ylmethanone is CCc1c(C(=O)N2CCOCC2)csc1C.
What is the InChIKey of (4-ethyl-5-methylthiophen-3-yl)-morpholin-4-ylmethanone?
The InChIKey is WKSKKHXKNQVWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-3-10-9(2)16-8-11(10)12(14)13-4-6-15-7-5-13/h8H,3-7H2,1-2H3.
What are the key properties of (4-ethyl-5-methylthiophen-3-yl)-morpholin-4-ylmethanone?
(4-ethyl-5-methylthiophen-3-yl)-morpholin-4-ylmethanone has a molecular weight of 239.34 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-5-methylthiophen-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 1246298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).