N-methoxy-1-thiophen-2-ylethenamine

C7H9NOS — CID 91142919

IUPACN-methoxy-1-thiophen-2-ylethenamine
SMILESC=C(NOC)c1cccs1
InChIInChI=1S/C7H9NOS/c1-6(8-9-2)7-4-3-5-10-7/h3-5,8H,1H2,2H3
InChIKeyCCSSAYIKJLHMQL-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.87
Rot. Bonds3

About N-methoxy-1-thiophen-2-ylethenamine

N-methoxy-1-thiophen-2-ylethenamine (PubChem CID 91142919) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is N-methoxy-1-thiophen-2-ylethenamine.

Molecular Properties

Compound NameN-methoxy-1-thiophen-2-ylethenamine
PubChem CID91142919
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC NameN-methoxy-1-thiophen-2-ylethenamine
SMILESC=C(NOC)c1cccs1
InChIInChI=1S/C7H9NOS/c1-6(8-9-2)7-4-3-5-10-7/h3-5,8H,1H2,2H3
InChIKeyCCSSAYIKJLHMQL-UHFFFAOYSA-N
XLogP1.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-1-thiophen-2-ylethenamine?
The IUPAC name of N-methoxy-1-thiophen-2-ylethenamine (CID 91142919) is N-methoxy-1-thiophen-2-ylethenamine.
What is the SMILES notation for N-methoxy-1-thiophen-2-ylethenamine?
The canonical SMILES for N-methoxy-1-thiophen-2-ylethenamine is C=C(NOC)c1cccs1.
What is the InChIKey of N-methoxy-1-thiophen-2-ylethenamine?
The InChIKey is CCSSAYIKJLHMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-6(8-9-2)7-4-3-5-10-7/h3-5,8H,1H2,2H3.
What are the key properties of N-methoxy-1-thiophen-2-ylethenamine?
N-methoxy-1-thiophen-2-ylethenamine has a molecular weight of 155.22 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-thiophen-2-ylethenamine is sourced from PubChem (CID 91142919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).