6-methyl-N-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C14H20N2O2S — CID 2970282

IUPAC6-methyl-N-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCC1CCc2c(C(=O)NN3CCOCC3)csc2C1
InChIInChI=1S/C14H20N2O2S/c1-10-2-3-11-12(9-19-13(11)8-10)14(17)15-16-4-6-18-7-5-16/h9-10H,2-8H2,1H3,(H,15,17)
InChIKeyJHZQGADEVYAIEM-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.85
Rot. Bonds2

About 6-methyl-N-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

6-methyl-N-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 2970282) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 6-methyl-N-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID2970282
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name6-methyl-N-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCC1CCc2c(C(=O)NN3CCOCC3)csc2C1
InChIInChI=1S/C14H20N2O2S/c1-10-2-3-11-12(9-19-13(11)8-10)14(17)15-16-4-6-18-7-5-16/h9-10H,2-8H2,1H3,(H,15,17)
InChIKeyJHZQGADEVYAIEM-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 6-methyl-N-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 2970282) is 6-methyl-N-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 6-methyl-N-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 6-methyl-N-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CC1CCc2c(C(=O)NN3CCOCC3)csc2C1.
What is the InChIKey of 6-methyl-N-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is JHZQGADEVYAIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10-2-3-11-12(9-19-13(11)8-10)14(17)15-16-4-6-18-7-5-16/h9-10H,2-8H2,1H3,(H,15,17).
What are the key properties of 6-methyl-N-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
6-methyl-N-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 2970282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).