2-amino-N-(2,2-dimethoxyethyl)thiophene-3-carboxamide

C9H14N2O3S — CID 56588146

IUPAC2-amino-N-(2,2-dimethoxyethyl)thiophene-3-carboxamide
SMILESCOC(CNC(=O)c1ccsc1N)OC
InChIInChI=1S/C9H14N2O3S/c1-13-7(14-2)5-11-9(12)6-3-4-15-8(6)10/h3-4,7H,5,10H2,1-2H3,(H,11,12)
InChIKeyIJLKVQNFCURFCV-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.68
Rot. Bonds5

About 2-amino-N-(2,2-dimethoxyethyl)thiophene-3-carboxamide

2-amino-N-(2,2-dimethoxyethyl)thiophene-3-carboxamide (PubChem CID 56588146) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-amino-N-(2,2-dimethoxyethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2,2-dimethoxyethyl)thiophene-3-carboxamide
PubChem CID56588146
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name2-amino-N-(2,2-dimethoxyethyl)thiophene-3-carboxamide
SMILESCOC(CNC(=O)c1ccsc1N)OC
InChIInChI=1S/C9H14N2O3S/c1-13-7(14-2)5-11-9(12)6-3-4-15-8(6)10/h3-4,7H,5,10H2,1-2H3,(H,11,12)
InChIKeyIJLKVQNFCURFCV-UHFFFAOYSA-N
XLogP0.68
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-dimethoxyethyl)thiophene-3-carboxamide?
The IUPAC name of 2-amino-N-(2,2-dimethoxyethyl)thiophene-3-carboxamide (CID 56588146) is 2-amino-N-(2,2-dimethoxyethyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N-(2,2-dimethoxyethyl)thiophene-3-carboxamide?
The canonical SMILES for 2-amino-N-(2,2-dimethoxyethyl)thiophene-3-carboxamide is COC(CNC(=O)c1ccsc1N)OC.
What is the InChIKey of 2-amino-N-(2,2-dimethoxyethyl)thiophene-3-carboxamide?
The InChIKey is IJLKVQNFCURFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-13-7(14-2)5-11-9(12)6-3-4-15-8(6)10/h3-4,7H,5,10H2,1-2H3,(H,11,12).
What are the key properties of 2-amino-N-(2,2-dimethoxyethyl)thiophene-3-carboxamide?
2-amino-N-(2,2-dimethoxyethyl)thiophene-3-carboxamide has a molecular weight of 230.29 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-dimethoxyethyl)thiophene-3-carboxamide is sourced from PubChem (CID 56588146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).