N-ethyl-3-methyl-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide

C13H18N2O2S — CID 46943866

IUPACN-ethyl-3-methyl-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1(C)CCN(C(=O)c2cccs2)C1
InChIInChI=1S/C13H18N2O2S/c1-3-14-12(17)13(2)6-7-15(9-13)11(16)10-5-4-8-18-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,14,17)
InChIKeyWZEAHGSIOWDDRY-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.74
Rot. Bonds3

About N-ethyl-3-methyl-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide

N-ethyl-3-methyl-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 46943866) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide
PubChem CID46943866
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-ethyl-3-methyl-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1(C)CCN(C(=O)c2cccs2)C1
InChIInChI=1S/C13H18N2O2S/c1-3-14-12(17)13(2)6-7-15(9-13)11(16)10-5-4-8-18-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,14,17)
InChIKeyWZEAHGSIOWDDRY-UHFFFAOYSA-N
XLogP1.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-3-methyl-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide (CID 46943866) is N-ethyl-3-methyl-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-3-methyl-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-3-methyl-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide is CCNC(=O)C1(C)CCN(C(=O)c2cccs2)C1.
What is the InChIKey of N-ethyl-3-methyl-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is WZEAHGSIOWDDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-3-14-12(17)13(2)6-7-15(9-13)11(16)10-5-4-8-18-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,14,17).
What are the key properties of N-ethyl-3-methyl-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide?
N-ethyl-3-methyl-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 46943866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).