N-methoxy-2-(5-nitrothiophen-2-yl)ethenamine

C7H8N2O3S — CID 57045037

IUPACN-methoxy-2-(5-nitrothiophen-2-yl)ethenamine
SMILESCONC=Cc1ccc([N+](=O)[O-])s1
InChIInChI=1S/C7H8N2O3S/c1-12-8-5-4-6-2-3-7(13-6)9(10)11/h2-5,8H,1H3
InChIKeyJOCWJEBSPOLMBQ-UHFFFAOYSA-N
MW200.22 g/mol
LogP1.78
Rot. Bonds4

About N-methoxy-2-(5-nitrothiophen-2-yl)ethenamine

N-methoxy-2-(5-nitrothiophen-2-yl)ethenamine (PubChem CID 57045037) has the molecular formula C7H8N2O3S and a molecular weight of 200.22 g/mol. Its IUPAC name is N-methoxy-2-(5-nitrothiophen-2-yl)ethenamine.

Molecular Properties

Compound NameN-methoxy-2-(5-nitrothiophen-2-yl)ethenamine
PubChem CID57045037
Molecular FormulaC7H8N2O3S
Molecular Weight200.22 g/mol
Exact Mass200.03
IUPAC NameN-methoxy-2-(5-nitrothiophen-2-yl)ethenamine
SMILESCONC=Cc1ccc([N+](=O)[O-])s1
InChIInChI=1S/C7H8N2O3S/c1-12-8-5-4-6-2-3-7(13-6)9(10)11/h2-5,8H,1H3
InChIKeyJOCWJEBSPOLMBQ-UHFFFAOYSA-N
XLogP1.78
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-methoxy-2-(5-nitrothiophen-2-yl)ethenamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(5-nitrothiophen-2-yl)prop-2-enoate
CID 85167112
1,4-bis[(E)-2-(5-nitrothiophen-2-yl)ethenyl]piperazine
CID 11338346
5-(5-nitrothiophen-2-yl)-3-oxopent-4-enoic acid
CID 70084637
3,4,5-trimethoxy-N-[(5-nitrothiophen-2-yl)methylideneamino]benzamide
CID 3317140
4-methoxy-N-[(5-nitrothiophen-2-yl)methylideneamino]benzamide
CID 3663595
(2R)-2-(methoxymethyl)-1-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]pyrrolidine
CID 102461490
N-(3,5-dimethylphenyl)-1-(5-nitrothiophen-2-yl)methanimine
CID 693381
(E)-3-(5-nitrothiophen-2-yl)-N-piperidin-4-ylprop-2-enamide
CID 127217570
2-(cyclopentylidenemethyl)-5-nitrothiophene
CID 10035999
4-methyl-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzamide
CID 5393549
(E)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide
CID 6047930
2-(3,4-dimethoxyphenyl)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]acetamide
CID 5390870

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-(5-nitrothiophen-2-yl)ethenamine?
The IUPAC name of N-methoxy-2-(5-nitrothiophen-2-yl)ethenamine (CID 57045037) is N-methoxy-2-(5-nitrothiophen-2-yl)ethenamine.
What is the SMILES notation for N-methoxy-2-(5-nitrothiophen-2-yl)ethenamine?
The canonical SMILES for N-methoxy-2-(5-nitrothiophen-2-yl)ethenamine is CONC=Cc1ccc([N+](=O)[O-])s1.
What is the InChIKey of N-methoxy-2-(5-nitrothiophen-2-yl)ethenamine?
The InChIKey is JOCWJEBSPOLMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3S/c1-12-8-5-4-6-2-3-7(13-6)9(10)11/h2-5,8H,1H3.
What are the key properties of N-methoxy-2-(5-nitrothiophen-2-yl)ethenamine?
N-methoxy-2-(5-nitrothiophen-2-yl)ethenamine has a molecular weight of 200.22 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-(5-nitrothiophen-2-yl)ethenamine is sourced from PubChem (CID 57045037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).