N-methyl-3-(3-methylphenyl)sulfanylaniline

C14H15NS — CID 117033152

IUPACN-methyl-3-(3-methylphenyl)sulfanylaniline
SMILESCNc1cccc(Sc2cccc(C)c2)c1
InChIInChI=1S/C14H15NS/c1-11-5-3-7-13(9-11)16-14-8-4-6-12(10-14)15-2/h3-10,15H,1-2H3
InChIKeyKEZONHNQCMQIEY-UHFFFAOYSA-N
MW229.35 g/mol
LogP4.19
Rot. Bonds3

About N-methyl-3-(3-methylphenyl)sulfanylaniline

N-methyl-3-(3-methylphenyl)sulfanylaniline (PubChem CID 117033152) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is N-methyl-3-(3-methylphenyl)sulfanylaniline.

Molecular Properties

Compound NameN-methyl-3-(3-methylphenyl)sulfanylaniline
PubChem CID117033152
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC NameN-methyl-3-(3-methylphenyl)sulfanylaniline
SMILESCNc1cccc(Sc2cccc(C)c2)c1
InChIInChI=1S/C14H15NS/c1-11-5-3-7-13(9-11)16-14-8-4-6-12(10-14)15-2/h3-10,15H,1-2H3
InChIKeyKEZONHNQCMQIEY-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)sulfanyl-N-methylaniline
CID 117033156
5-methyl-2-[3-(methylamino)phenyl]sulfanylphenol
CID 144577557
1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 143856903
N,2-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine
CID 80885675
N-methyl-3-thiophen-2-ylsulfanylaniline
CID 117033150
1,2-bis[(3-methylphenyl)sulfanyl]benzene
CID 58715664
3-methyl-5-(3-methylphenyl)sulfanylaniline
CID 112648769
N,3-dimethylaniline;methyl formate
CID 143511475
N-methyl-6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 172842465
acetaldehyde;N-methyl-3-(3-methylphenyl)aniline
CID 142087034
6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene
CID 144987176
(3-methylphenyl)sulfanylhydrazine
CID 117036019

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methylphenyl)sulfanylaniline?
The IUPAC name of N-methyl-3-(3-methylphenyl)sulfanylaniline (CID 117033152) is N-methyl-3-(3-methylphenyl)sulfanylaniline.
What is the SMILES notation for N-methyl-3-(3-methylphenyl)sulfanylaniline?
The canonical SMILES for N-methyl-3-(3-methylphenyl)sulfanylaniline is CNc1cccc(Sc2cccc(C)c2)c1.
What is the InChIKey of N-methyl-3-(3-methylphenyl)sulfanylaniline?
The InChIKey is KEZONHNQCMQIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c1-11-5-3-7-13(9-11)16-14-8-4-6-12(10-14)15-2/h3-10,15H,1-2H3.
What are the key properties of N-methyl-3-(3-methylphenyl)sulfanylaniline?
N-methyl-3-(3-methylphenyl)sulfanylaniline has a molecular weight of 229.35 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methylphenyl)sulfanylaniline is sourced from PubChem (CID 117033152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).