N-amino-N'-ethyl-3-methoxythiophene-2-carboximidamide

C8H13N3OS — CID 81124066

IUPACN-amino-N'-ethyl-3-methoxythiophene-2-carboximidamide
SMILESCC/N=C(\NN)c1sccc1OC
InChIInChI=1S/C8H13N3OS/c1-3-10-8(11-9)7-6(12-2)4-5-13-7/h4-5H,3,9H2,1-2H3,(H,10,11)
InChIKeyYVWQBXHOCORCLX-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.99
Rot. Bonds3

About N-amino-N'-ethyl-3-methoxythiophene-2-carboximidamide

N-amino-N'-ethyl-3-methoxythiophene-2-carboximidamide (PubChem CID 81124066) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is N-amino-N'-ethyl-3-methoxythiophene-2-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-ethyl-3-methoxythiophene-2-carboximidamide
PubChem CID81124066
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC NameN-amino-N'-ethyl-3-methoxythiophene-2-carboximidamide
SMILESCC/N=C(\NN)c1sccc1OC
InChIInChI=1S/C8H13N3OS/c1-3-10-8(11-9)7-6(12-2)4-5-13-7/h4-5H,3,9H2,1-2H3,(H,10,11)
InChIKeyYVWQBXHOCORCLX-UHFFFAOYSA-N
XLogP0.99
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-ethyl-3-methoxythiophene-2-carboximidamide?
The IUPAC name of N-amino-N'-ethyl-3-methoxythiophene-2-carboximidamide (CID 81124066) is N-amino-N'-ethyl-3-methoxythiophene-2-carboximidamide.
What is the SMILES notation for N-amino-N'-ethyl-3-methoxythiophene-2-carboximidamide?
The canonical SMILES for N-amino-N'-ethyl-3-methoxythiophene-2-carboximidamide is CC/N=C(\NN)c1sccc1OC.
What is the InChIKey of N-amino-N'-ethyl-3-methoxythiophene-2-carboximidamide?
The InChIKey is YVWQBXHOCORCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-3-10-8(11-9)7-6(12-2)4-5-13-7/h4-5H,3,9H2,1-2H3,(H,10,11).
What are the key properties of N-amino-N'-ethyl-3-methoxythiophene-2-carboximidamide?
N-amino-N'-ethyl-3-methoxythiophene-2-carboximidamide has a molecular weight of 199.28 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-ethyl-3-methoxythiophene-2-carboximidamide is sourced from PubChem (CID 81124066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).