6-methyl-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydro-2H-pyran-5-carboxamide

C14H19NO2S — CID 102553638

IUPAC6-methyl-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)NC(C)Cc2ccsc2)CCCO1
InChIInChI=1S/C14H19NO2S/c1-10(8-12-5-7-18-9-12)15-14(16)13-4-3-6-17-11(13)2/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,15,16)
InChIKeyXJTKAGWFKFHPMO-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.88
Rot. Bonds4

About 6-methyl-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydro-2H-pyran-5-carboxamide

6-methyl-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 102553638) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 6-methyl-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID102553638
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name6-methyl-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)NC(C)Cc2ccsc2)CCCO1
InChIInChI=1S/C14H19NO2S/c1-10(8-12-5-7-18-9-12)15-14(16)13-4-3-6-17-11(13)2/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,15,16)
InChIKeyXJTKAGWFKFHPMO-UHFFFAOYSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of 6-methyl-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydro-2H-pyran-5-carboxamide (CID 102553638) is 6-methyl-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for 6-methyl-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for 6-methyl-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydro-2H-pyran-5-carboxamide is CC1=C(C(=O)NC(C)Cc2ccsc2)CCCO1.
What is the InChIKey of 6-methyl-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is XJTKAGWFKFHPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-10(8-12-5-7-18-9-12)15-14(16)13-4-3-6-17-11(13)2/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,15,16).
What are the key properties of 6-methyl-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydro-2H-pyran-5-carboxamide?
6-methyl-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 102553638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).