N-methoxy-2-methylsulfanylaniline

C8H11NOS — CID 142183947

IUPACN-methoxy-2-methylsulfanylaniline
SMILESCONc1ccccc1SC
InChIInChI=1S/C8H11NOS/c1-10-9-7-5-3-4-6-8(7)11-2/h3-6,9H,1-2H3
InChIKeySXDRBRJRUUIYOV-UHFFFAOYSA-N
MW169.25 g/mol
LogP2.38
Rot. Bonds3

About N-methoxy-2-methylsulfanylaniline

N-methoxy-2-methylsulfanylaniline (PubChem CID 142183947) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is N-methoxy-2-methylsulfanylaniline.

Molecular Properties

Compound NameN-methoxy-2-methylsulfanylaniline
PubChem CID142183947
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC NameN-methoxy-2-methylsulfanylaniline
SMILESCONc1ccccc1SC
InChIInChI=1S/C8H11NOS/c1-10-9-7-5-3-4-6-8(7)11-2/h3-6,9H,1-2H3
InChIKeySXDRBRJRUUIYOV-UHFFFAOYSA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methoxy-2-methylsulfanylaniline 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

N-(2-methylsulfanylphenyl)hydroxylamine
CID 166768546
methyl 2-(2-methylsulfanylphenyl)-2-oxoacetate
CID 14145191
2-methylsulfanyl-N-trimethylsilylaniline
CID 22717583
N-tert-butyl-2-methylsulfanylaniline
CID 121217265
N-(3-methoxypropyl)-2-methylsulfanylaniline
CID 103696970
2-methylsulfanyl-N-(trifluoromethyl)aniline
CID 71648542
N-(2-methoxy-1-phenylethyl)-2-methylsulfanylaniline
CID 103463701
2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 43780942
2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)acetamide
CID 7688925
2-hydrazinyl-7-methylsulfanylcyclohepta-2,4,6-trien-1-one
CID 55280828
2-methylsulfanyl-N-(propan-2-ylideneamino)aniline
CID 130677870
N-(1,1-difluoropropan-2-yl)-2-methylsulfanylaniline
CID 102868390

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-methylsulfanylaniline?
The IUPAC name of N-methoxy-2-methylsulfanylaniline (CID 142183947) is N-methoxy-2-methylsulfanylaniline.
What is the SMILES notation for N-methoxy-2-methylsulfanylaniline?
The canonical SMILES for N-methoxy-2-methylsulfanylaniline is CONc1ccccc1SC.
What is the InChIKey of N-methoxy-2-methylsulfanylaniline?
The InChIKey is SXDRBRJRUUIYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-10-9-7-5-3-4-6-8(7)11-2/h3-6,9H,1-2H3.
What are the key properties of N-methoxy-2-methylsulfanylaniline?
N-methoxy-2-methylsulfanylaniline has a molecular weight of 169.25 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-methylsulfanylaniline is sourced from PubChem (CID 142183947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).