morpholin-4-yl-(5-propan-2-ylthiophen-3-yl)methanone

C12H17NO2S — CID 17191050

IUPACmorpholin-4-yl-(5-propan-2-ylthiophen-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCOCC2)cs1
InChIInChI=1S/C12H17NO2S/c1-9(2)11-7-10(8-16-11)12(14)13-3-5-15-6-4-13/h7-9H,3-6H2,1-2H3
InChIKeyAYVAUJGXRRUBFZ-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.34
Rot. Bonds2

About morpholin-4-yl-(5-propan-2-ylthiophen-3-yl)methanone

morpholin-4-yl-(5-propan-2-ylthiophen-3-yl)methanone (PubChem CID 17191050) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is morpholin-4-yl-(5-propan-2-ylthiophen-3-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(5-propan-2-ylthiophen-3-yl)methanone
PubChem CID17191050
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Namemorpholin-4-yl-(5-propan-2-ylthiophen-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCOCC2)cs1
InChIInChI=1S/C12H17NO2S/c1-9(2)11-7-10(8-16-11)12(14)13-3-5-15-6-4-13/h7-9H,3-6H2,1-2H3
InChIKeyAYVAUJGXRRUBFZ-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(5-propan-2-ylthiophen-3-yl)methanone?
The IUPAC name of morpholin-4-yl-(5-propan-2-ylthiophen-3-yl)methanone (CID 17191050) is morpholin-4-yl-(5-propan-2-ylthiophen-3-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(5-propan-2-ylthiophen-3-yl)methanone?
The canonical SMILES for morpholin-4-yl-(5-propan-2-ylthiophen-3-yl)methanone is CC(C)c1cc(C(=O)N2CCOCC2)cs1.
What is the InChIKey of morpholin-4-yl-(5-propan-2-ylthiophen-3-yl)methanone?
The InChIKey is AYVAUJGXRRUBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9(2)11-7-10(8-16-11)12(14)13-3-5-15-6-4-13/h7-9H,3-6H2,1-2H3.
What are the key properties of morpholin-4-yl-(5-propan-2-ylthiophen-3-yl)methanone?
morpholin-4-yl-(5-propan-2-ylthiophen-3-yl)methanone has a molecular weight of 239.34 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(5-propan-2-ylthiophen-3-yl)methanone is sourced from PubChem (CID 17191050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).