4-methoxy-N-methyl-3-(4-methylanilino)sulfanylaniline

C15H18N2OS — CID 156859678

IUPAC4-methoxy-N-methyl-3-(4-methylanilino)sulfanylaniline
SMILESCNc1ccc(OC)c(SNc2ccc(C)cc2)c1
InChIInChI=1S/C15H18N2OS/c1-11-4-6-12(7-5-11)17-19-15-10-13(16-2)8-9-14(15)18-3/h4-10,16-17H,1-3H3
InChIKeyIRGFNVHOHFJBIF-UHFFFAOYSA-N
MW274.39 g/mol
LogP4.16
Rot. Bonds5

About 4-methoxy-N-methyl-3-(4-methylanilino)sulfanylaniline

4-methoxy-N-methyl-3-(4-methylanilino)sulfanylaniline (PubChem CID 156859678) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-methoxy-N-methyl-3-(4-methylanilino)sulfanylaniline.

Molecular Properties

Compound Name4-methoxy-N-methyl-3-(4-methylanilino)sulfanylaniline
PubChem CID156859678
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name4-methoxy-N-methyl-3-(4-methylanilino)sulfanylaniline
SMILESCNc1ccc(OC)c(SNc2ccc(C)cc2)c1
InChIInChI=1S/C15H18N2OS/c1-11-4-6-12(7-5-11)17-19-15-10-13(16-2)8-9-14(15)18-3/h4-10,16-17H,1-3H3
InChIKeyIRGFNVHOHFJBIF-UHFFFAOYSA-N
XLogP4.16
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-methoxy-3-(4-methylanilino)sulfanylbenzoate
CID 144771560
3,4-dimethoxy-N-(4-methylphenyl)sulfanylaniline
CID 143111973
ethane;4-methoxy-N,3-dimethylaniline
CID 142876075
3-fluoro-4-methoxy-N-methylaniline
CID 21307269
methyl 2-(4-methylanilino)sulfanylbenzoate
CID 10038955
N,4-dimethylaniline;ethane
CID 90758225
(2-methoxy-5-methylphenyl) thiohypochlorite
CID 117036074
S-(2-methoxy-5-methylphenyl)thiohydroxylamine
CID 117033753
2-(disulfanyl)-1-methoxy-4-methylbenzene
CID 117033813
CID 171103061
CID 171103061
4-ethoxy-3-methoxy-N-methylaniline
CID 63089329
3-methoxy-N-methyl-4-prop-1-en-2-ylaniline
CID 143147515

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-3-(4-methylanilino)sulfanylaniline?
The IUPAC name of 4-methoxy-N-methyl-3-(4-methylanilino)sulfanylaniline (CID 156859678) is 4-methoxy-N-methyl-3-(4-methylanilino)sulfanylaniline.
What is the SMILES notation for 4-methoxy-N-methyl-3-(4-methylanilino)sulfanylaniline?
The canonical SMILES for 4-methoxy-N-methyl-3-(4-methylanilino)sulfanylaniline is CNc1ccc(OC)c(SNc2ccc(C)cc2)c1.
What is the InChIKey of 4-methoxy-N-methyl-3-(4-methylanilino)sulfanylaniline?
The InChIKey is IRGFNVHOHFJBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11-4-6-12(7-5-11)17-19-15-10-13(16-2)8-9-14(15)18-3/h4-10,16-17H,1-3H3.
What are the key properties of 4-methoxy-N-methyl-3-(4-methylanilino)sulfanylaniline?
4-methoxy-N-methyl-3-(4-methylanilino)sulfanylaniline has a molecular weight of 274.39 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-3-(4-methylanilino)sulfanylaniline is sourced from PubChem (CID 156859678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).