5-methyl-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide

C12H17NO2S — CID 2971322

IUPAC5-methyl-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide
SMILESCc1cc(C(=O)NC(C)C2CCCO2)cs1
InChIInChI=1S/C12H17NO2S/c1-8-6-10(7-16-8)12(14)13-9(2)11-4-3-5-15-11/h6-7,9,11H,3-5H2,1-2H3,(H,13,14)
InChIKeyZKNSBSDCIZSLCO-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.35
Rot. Bonds3

About 5-methyl-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide

5-methyl-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide (PubChem CID 2971322) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 5-methyl-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide
PubChem CID2971322
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name5-methyl-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide
SMILESCc1cc(C(=O)NC(C)C2CCCO2)cs1
InChIInChI=1S/C12H17NO2S/c1-8-6-10(7-16-8)12(14)13-9(2)11-4-3-5-15-11/h6-7,9,11H,3-5H2,1-2H3,(H,13,14)
InChIKeyZKNSBSDCIZSLCO-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide?
The IUPAC name of 5-methyl-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide (CID 2971322) is 5-methyl-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide is Cc1cc(C(=O)NC(C)C2CCCO2)cs1.
What is the InChIKey of 5-methyl-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide?
The InChIKey is ZKNSBSDCIZSLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-8-6-10(7-16-8)12(14)13-9(2)11-4-3-5-15-11/h6-7,9,11H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 5-methyl-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide?
5-methyl-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 2971322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).