6-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C15H21NO2S — CID 3245882

IUPAC6-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCC1CCc2c(C(=O)NCC3CCCO3)csc2C1
InChIInChI=1S/C15H21NO2S/c1-10-4-5-12-13(9-19-14(12)7-10)15(17)16-8-11-3-2-6-18-11/h9-11H,2-8H2,1H3,(H,16,17)
InChIKeyLQZGMRGFJWOXAT-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.78
Rot. Bonds3

About 6-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

6-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 3245882) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 6-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID3245882
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name6-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCC1CCc2c(C(=O)NCC3CCCO3)csc2C1
InChIInChI=1S/C15H21NO2S/c1-10-4-5-12-13(9-19-14(12)7-10)15(17)16-8-11-3-2-6-18-11/h9-11H,2-8H2,1H3,(H,16,17)
InChIKeyLQZGMRGFJWOXAT-UHFFFAOYSA-N
XLogP2.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 6-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 3245882) is 6-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 6-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CC1CCc2c(C(=O)NCC3CCCO3)csc2C1.
What is the InChIKey of 6-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is LQZGMRGFJWOXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-10-4-5-12-13(9-19-14(12)7-10)15(17)16-8-11-3-2-6-18-11/h9-11H,2-8H2,1H3,(H,16,17).
What are the key properties of 6-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
6-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 279.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 3245882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).