N-methoxy-N-methyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide

C11H14N2O3S — CID 71785232

IUPACN-methoxy-N-methyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
SMILESCON(C)C(=O)C1CN(C(=O)c2cccs2)C1
InChIInChI=1S/C11H14N2O3S/c1-12(16-2)10(14)8-6-13(7-8)11(15)9-4-3-5-17-9/h3-5,8H,6-7H2,1-2H3
InChIKeyWJPVXWQNTAJIGG-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.84
Rot. Bonds3

About N-methoxy-N-methyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide

N-methoxy-N-methyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide (PubChem CID 71785232) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-methoxy-N-methyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
PubChem CID71785232
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN-methoxy-N-methyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
SMILESCON(C)C(=O)C1CN(C(=O)c2cccs2)C1
InChIInChI=1S/C11H14N2O3S/c1-12(16-2)10(14)8-6-13(7-8)11(15)9-4-3-5-17-9/h3-5,8H,6-7H2,1-2H3
InChIKeyWJPVXWQNTAJIGG-UHFFFAOYSA-N
XLogP0.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-methoxy-N-methyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide (CID 71785232) is N-methoxy-N-methyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide is CON(C)C(=O)C1CN(C(=O)c2cccs2)C1.
What is the InChIKey of N-methoxy-N-methyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The InChIKey is WJPVXWQNTAJIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-12(16-2)10(14)8-6-13(7-8)11(15)9-4-3-5-17-9/h3-5,8H,6-7H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
N-methoxy-N-methyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide has a molecular weight of 254.31 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 71785232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).