N-methoxy-3-methyl-5-methylsulfanylaniline

C9H13NOS — CID 143858418

IUPACN-methoxy-3-methyl-5-methylsulfanylaniline
SMILESCONc1cc(C)cc(SC)c1
InChIInChI=1S/C9H13NOS/c1-7-4-8(10-11-2)6-9(5-7)12-3/h4-6,10H,1-3H3
InChIKeyXQZSQAMEPBAPMI-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.69
Rot. Bonds3

About N-methoxy-3-methyl-5-methylsulfanylaniline

N-methoxy-3-methyl-5-methylsulfanylaniline (PubChem CID 143858418) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is N-methoxy-3-methyl-5-methylsulfanylaniline.

Molecular Properties

Compound NameN-methoxy-3-methyl-5-methylsulfanylaniline
PubChem CID143858418
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC NameN-methoxy-3-methyl-5-methylsulfanylaniline
SMILESCONc1cc(C)cc(SC)c1
InChIInChI=1S/C9H13NOS/c1-7-4-8(10-11-2)6-9(5-7)12-3/h4-6,10H,1-3H3
InChIKeyXQZSQAMEPBAPMI-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.69
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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Related Compounds

3-(2-ethylphenyl)sulfanyl-N-methoxy-5-methylaniline
CID 143476654
ethane;1-methoxy-3-methyl-5-methylsulfanylbenzene
CID 143780161
1-bromo-3-methyl-5-methylsulfanylbenzene;ethane;ethene
CID 144805202
1-methyl-3-methylsulfanyl-5-prop-1-en-2-ylbenzene
CID 129287205
N-(3,5-dimethylphenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167280
ethane;N-methoxy-3,4-dimethylaniline
CID 144566658
N-(2,6-dibromo-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide
CID 26217402
[2-(3,5-dimethylanilino)-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8507934
2-fluoro-1,3-dimethoxy-5-methylsulfanylbenzene
CID 130925961
benzene;N-methoxyaniline
CID 159505017
1-(2-methoxy-5-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 51062441
1-N-methoxy-4-methylbenzene-1,3-diamine
CID 87287100

Frequently Asked Questions

What is the IUPAC name of N-methoxy-3-methyl-5-methylsulfanylaniline?
The IUPAC name of N-methoxy-3-methyl-5-methylsulfanylaniline (CID 143858418) is N-methoxy-3-methyl-5-methylsulfanylaniline.
What is the SMILES notation for N-methoxy-3-methyl-5-methylsulfanylaniline?
The canonical SMILES for N-methoxy-3-methyl-5-methylsulfanylaniline is CONc1cc(C)cc(SC)c1.
What is the InChIKey of N-methoxy-3-methyl-5-methylsulfanylaniline?
The InChIKey is XQZSQAMEPBAPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-7-4-8(10-11-2)6-9(5-7)12-3/h4-6,10H,1-3H3.
What are the key properties of N-methoxy-3-methyl-5-methylsulfanylaniline?
N-methoxy-3-methyl-5-methylsulfanylaniline has a molecular weight of 183.28 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-3-methyl-5-methylsulfanylaniline is sourced from PubChem (CID 143858418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).