4-methoxy-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline

C10H12N2O3S — CID 6381231

IUPAC4-methoxy-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline
SMILESCOc1ccc(N/C(=C/[N+](=O)[O-])SC)cc1
InChIInChI=1S/C10H12N2O3S/c1-15-9-5-3-8(4-6-9)11-10(16-2)7-12(13)14/h3-7,11H,1-2H3/b10-7-
InChIKeyKTGOPTAYWAHLCN-YFHOEESVSA-N
MW240.28 g/mol
LogP2.55
Rot. Bonds5

About 4-methoxy-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline

4-methoxy-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline (PubChem CID 6381231) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-methoxy-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline
PubChem CID6381231
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name4-methoxy-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline
SMILESCOc1ccc(N/C(=C/[N+](=O)[O-])SC)cc1
InChIInChI=1S/C10H12N2O3S/c1-15-9-5-3-8(4-6-9)11-10(16-2)7-12(13)14/h3-7,11H,1-2H3/b10-7-
InChIKeyKTGOPTAYWAHLCN-YFHOEESVSA-N
XLogP2.55
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.55
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 4-methoxy-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline?
The IUPAC name of 4-methoxy-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline (CID 6381231) is 4-methoxy-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline.
What is the SMILES notation for 4-methoxy-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline?
The canonical SMILES for 4-methoxy-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline is COc1ccc(N/C(=C/[N+](=O)[O-])SC)cc1.
What is the InChIKey of 4-methoxy-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline?
The InChIKey is KTGOPTAYWAHLCN-YFHOEESVSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-15-9-5-3-8(4-6-9)11-10(16-2)7-12(13)14/h3-7,11H,1-2H3/b10-7-.
What are the key properties of 4-methoxy-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline?
4-methoxy-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline has a molecular weight of 240.28 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline is sourced from PubChem (CID 6381231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).