2-ethenyl-N-methyl-5-(methylaminosulfanyl)aniline

C10H14N2S — CID 162743510

IUPAC2-ethenyl-N-methyl-5-(methylaminosulfanyl)aniline
SMILESC=Cc1ccc(SNC)cc1NC
InChIInChI=1S/C10H14N2S/c1-4-8-5-6-9(13-12-3)7-10(8)11-2/h4-7,11-12H,1H2,2-3H3
InChIKeyQJRSJKIJSRRUJD-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.60
Rot. Bonds4

About 2-ethenyl-N-methyl-5-(methylaminosulfanyl)aniline

2-ethenyl-N-methyl-5-(methylaminosulfanyl)aniline (PubChem CID 162743510) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-ethenyl-N-methyl-5-(methylaminosulfanyl)aniline.

Molecular Properties

Compound Name2-ethenyl-N-methyl-5-(methylaminosulfanyl)aniline
PubChem CID162743510
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2-ethenyl-N-methyl-5-(methylaminosulfanyl)aniline
SMILESC=Cc1ccc(SNC)cc1NC
InChIInChI=1S/C10H14N2S/c1-4-8-5-6-9(13-12-3)7-10(8)11-2/h4-7,11-12H,1H2,2-3H3
InChIKeyQJRSJKIJSRRUJD-UHFFFAOYSA-N
XLogP2.60
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-ethenyl-3-(methylamino)phenyl]boronic acid
CID 145270482
CID 174075821
CID 174075821
2-ethenyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 169168599
2-chloro-5-ethenyl-N-methylpyridin-4-amine
CID 144806853
N-[2-ethenyl-5-(3-methylbut-1-en-2-yl)phenyl]sulfanylmethanamine
CID 166773643
[3-ethenyl-4-(methylamino)phenyl]boronic acid
CID 143196109
N-(4-chloro-3-methylphenyl)sulfanylmethanamine
CID 117033794
1-[4-ethenyl-3-(methylamino)phenyl]-3-methylbenzimidazol-2-one
CID 167056336
(2-ethenyl-5-methylphenyl)hydrazine
CID 89194075
ethane;3-ethenyl-4-(methylamino)benzoic acid
CID 145311632
3-bromo-2-ethenyl-N-methyl-5-methylsulfanylaniline
CID 145493342
2-ethenyl-5-fluoro-4-methoxy-N-methylaniline
CID 122519559

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N-methyl-5-(methylaminosulfanyl)aniline?
The IUPAC name of 2-ethenyl-N-methyl-5-(methylaminosulfanyl)aniline (CID 162743510) is 2-ethenyl-N-methyl-5-(methylaminosulfanyl)aniline.
What is the SMILES notation for 2-ethenyl-N-methyl-5-(methylaminosulfanyl)aniline?
The canonical SMILES for 2-ethenyl-N-methyl-5-(methylaminosulfanyl)aniline is C=Cc1ccc(SNC)cc1NC.
What is the InChIKey of 2-ethenyl-N-methyl-5-(methylaminosulfanyl)aniline?
The InChIKey is QJRSJKIJSRRUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-4-8-5-6-9(13-12-3)7-10(8)11-2/h4-7,11-12H,1H2,2-3H3.
What are the key properties of 2-ethenyl-N-methyl-5-(methylaminosulfanyl)aniline?
2-ethenyl-N-methyl-5-(methylaminosulfanyl)aniline has a molecular weight of 194.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N-methyl-5-(methylaminosulfanyl)aniline is sourced from PubChem (CID 162743510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).