(5-tert-butylthiophen-2-yl)-morpholin-4-ylmethanone

C13H19NO2S — CID 2741531

IUPAC(5-tert-butylthiophen-2-yl)-morpholin-4-ylmethanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCOCC2)s1
InChIInChI=1S/C13H19NO2S/c1-13(2,3)11-5-4-10(17-11)12(15)14-6-8-16-9-7-14/h4-5H,6-9H2,1-3H3
InChIKeyVZVFUTIJZRUHTJ-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.52
Rot. Bonds1

About (5-tert-butylthiophen-2-yl)-morpholin-4-ylmethanone

(5-tert-butylthiophen-2-yl)-morpholin-4-ylmethanone (PubChem CID 2741531) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is (5-tert-butylthiophen-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-tert-butylthiophen-2-yl)-morpholin-4-ylmethanone
PubChem CID2741531
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name(5-tert-butylthiophen-2-yl)-morpholin-4-ylmethanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCOCC2)s1
InChIInChI=1S/C13H19NO2S/c1-13(2,3)11-5-4-10(17-11)12(15)14-6-8-16-9-7-14/h4-5H,6-9H2,1-3H3
InChIKeyVZVFUTIJZRUHTJ-UHFFFAOYSA-N
XLogP2.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butylthiophen-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (5-tert-butylthiophen-2-yl)-morpholin-4-ylmethanone (CID 2741531) is (5-tert-butylthiophen-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (5-tert-butylthiophen-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (5-tert-butylthiophen-2-yl)-morpholin-4-ylmethanone is CC(C)(C)c1ccc(C(=O)N2CCOCC2)s1.
What is the InChIKey of (5-tert-butylthiophen-2-yl)-morpholin-4-ylmethanone?
The InChIKey is VZVFUTIJZRUHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-13(2,3)11-5-4-10(17-11)12(15)14-6-8-16-9-7-14/h4-5H,6-9H2,1-3H3.
What are the key properties of (5-tert-butylthiophen-2-yl)-morpholin-4-ylmethanone?
(5-tert-butylthiophen-2-yl)-morpholin-4-ylmethanone has a molecular weight of 253.37 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butylthiophen-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 2741531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).