2-(1-benzothiophen-5-ylamino)-1-morpholin-4-ylethanone

C14H16N2O2S — CID 60706036

IUPAC2-(1-benzothiophen-5-ylamino)-1-morpholin-4-ylethanone
SMILESO=C(CNc1ccc2sccc2c1)N1CCOCC1
InChIInChI=1S/C14H16N2O2S/c17-14(16-4-6-18-7-5-16)10-15-12-1-2-13-11(9-12)3-8-19-13/h1-3,8-9,15H,4-7,10H2
InChIKeyJPINXWFROURVSX-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.17
Rot. Bonds3

About 2-(1-benzothiophen-5-ylamino)-1-morpholin-4-ylethanone

2-(1-benzothiophen-5-ylamino)-1-morpholin-4-ylethanone (PubChem CID 60706036) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(1-benzothiophen-5-ylamino)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(1-benzothiophen-5-ylamino)-1-morpholin-4-ylethanone
PubChem CID60706036
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-(1-benzothiophen-5-ylamino)-1-morpholin-4-ylethanone
SMILESO=C(CNc1ccc2sccc2c1)N1CCOCC1
InChIInChI=1S/C14H16N2O2S/c17-14(16-4-6-18-7-5-16)10-15-12-1-2-13-11(9-12)3-8-19-13/h1-3,8-9,15H,4-7,10H2
InChIKeyJPINXWFROURVSX-UHFFFAOYSA-N
XLogP2.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-5-ylamino)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(1-benzothiophen-5-ylamino)-1-morpholin-4-ylethanone (CID 60706036) is 2-(1-benzothiophen-5-ylamino)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(1-benzothiophen-5-ylamino)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(1-benzothiophen-5-ylamino)-1-morpholin-4-ylethanone is O=C(CNc1ccc2sccc2c1)N1CCOCC1.
What is the InChIKey of 2-(1-benzothiophen-5-ylamino)-1-morpholin-4-ylethanone?
The InChIKey is JPINXWFROURVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c17-14(16-4-6-18-7-5-16)10-15-12-1-2-13-11(9-12)3-8-19-13/h1-3,8-9,15H,4-7,10H2.
What are the key properties of 2-(1-benzothiophen-5-ylamino)-1-morpholin-4-ylethanone?
2-(1-benzothiophen-5-ylamino)-1-morpholin-4-ylethanone has a molecular weight of 276.36 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-5-ylamino)-1-morpholin-4-ylethanone is sourced from PubChem (CID 60706036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).