N-amino-N'-cyclopropyl-4-methoxythiophene-2-carboximidamide

C9H13N3OS — CID 81124442

IUPACN-amino-N'-cyclopropyl-4-methoxythiophene-2-carboximidamide
SMILESCOc1csc(/C(=N/C2CC2)NN)c1
InChIInChI=1S/C9H13N3OS/c1-13-7-4-8(14-5-7)9(12-10)11-6-2-3-6/h4-6H,2-3,10H2,1H3,(H,11,12)
InChIKeyXNKQCDYZPOAEFC-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.13
Rot. Bonds3

About N-amino-N'-cyclopropyl-4-methoxythiophene-2-carboximidamide

N-amino-N'-cyclopropyl-4-methoxythiophene-2-carboximidamide (PubChem CID 81124442) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is N-amino-N'-cyclopropyl-4-methoxythiophene-2-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopropyl-4-methoxythiophene-2-carboximidamide
PubChem CID81124442
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC NameN-amino-N'-cyclopropyl-4-methoxythiophene-2-carboximidamide
SMILESCOc1csc(/C(=N/C2CC2)NN)c1
InChIInChI=1S/C9H13N3OS/c1-13-7-4-8(14-5-7)9(12-10)11-6-2-3-6/h4-6H,2-3,10H2,1H3,(H,11,12)
InChIKeyXNKQCDYZPOAEFC-UHFFFAOYSA-N
XLogP1.13
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.13
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'-cyclopropyl-4-methoxythiophene-2-carboximidamide?
The IUPAC name of N-amino-N'-cyclopropyl-4-methoxythiophene-2-carboximidamide (CID 81124442) is N-amino-N'-cyclopropyl-4-methoxythiophene-2-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopropyl-4-methoxythiophene-2-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopropyl-4-methoxythiophene-2-carboximidamide is COc1csc(/C(=N/C2CC2)NN)c1.
What is the InChIKey of N-amino-N'-cyclopropyl-4-methoxythiophene-2-carboximidamide?
The InChIKey is XNKQCDYZPOAEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-13-7-4-8(14-5-7)9(12-10)11-6-2-3-6/h4-6H,2-3,10H2,1H3,(H,11,12).
What are the key properties of N-amino-N'-cyclopropyl-4-methoxythiophene-2-carboximidamide?
N-amino-N'-cyclopropyl-4-methoxythiophene-2-carboximidamide has a molecular weight of 211.29 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopropyl-4-methoxythiophene-2-carboximidamide is sourced from PubChem (CID 81124442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).