ethenyl 3-(aminomethyl)-N-methylbenzenecarboximidothioate

C11H14N2S — CID 144862390

IUPACethenyl 3-(aminomethyl)-N-methylbenzenecarboximidothioate
SMILESC=CS/C(=N\C)c1cccc(CN)c1
InChIInChI=1S/C11H14N2S/c1-3-14-11(13-2)10-6-4-5-9(7-10)8-12/h3-7H,1,8,12H2,2H3/b13-11-
InChIKeyZFQVRPGLIWUPFB-QBFSEMIESA-N
MW206.31 g/mol
LogP2.40
Rot. Bonds3

About ethenyl 3-(aminomethyl)-N-methylbenzenecarboximidothioate

ethenyl 3-(aminomethyl)-N-methylbenzenecarboximidothioate (PubChem CID 144862390) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is ethenyl 3-(aminomethyl)-N-methylbenzenecarboximidothioate.

Molecular Properties

Compound Nameethenyl 3-(aminomethyl)-N-methylbenzenecarboximidothioate
PubChem CID144862390
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Nameethenyl 3-(aminomethyl)-N-methylbenzenecarboximidothioate
SMILESC=CS/C(=N\C)c1cccc(CN)c1
InChIInChI=1S/C11H14N2S/c1-3-14-11(13-2)10-6-4-5-9(7-10)8-12/h3-7H,1,8,12H2,2H3/b13-11-
InChIKeyZFQVRPGLIWUPFB-QBFSEMIESA-N
XLogP2.40
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze ethenyl 3-(aminomethyl)-N-methylbenzenecarboximidothioate 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

(Z)-2-[3-(aminomethyl)phenyl]-3-methyliminoprop-1-en-1-amine
CID 170714570
ethyl 3-(aminomethyl)benzoate
CID 15079215
[3-[1-[[(E)-2-bromobut-2-enylidene]amino]ethenyl]phenyl]methanamine
CID 143940090
[3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanamine
CID 130564880
hexyl 3-(aminomethyl)benzoate
CID 61302496
3-(aminomethyl)-N-methylbenzamide;ethane
CID 143416429
[3-[(3Z)-4-but-1-en-2-yloxypenta-1,3-dien-3-yl]phenyl]methanamine;ethane
CID 153350537
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
3-(aminomethyl)-N-ethylbenzamide
CID 16777664
methyl 3-(aminomethyl)benzoate;molecular hydrogen
CID 144769732
[3-(aminomethyl)phenyl]methanamine;boric acid
CID 175765748
[3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen
CID 145400663

Frequently Asked Questions

What is the IUPAC name of ethenyl 3-(aminomethyl)-N-methylbenzenecarboximidothioate?
The IUPAC name of ethenyl 3-(aminomethyl)-N-methylbenzenecarboximidothioate (CID 144862390) is ethenyl 3-(aminomethyl)-N-methylbenzenecarboximidothioate.
What is the SMILES notation for ethenyl 3-(aminomethyl)-N-methylbenzenecarboximidothioate?
The canonical SMILES for ethenyl 3-(aminomethyl)-N-methylbenzenecarboximidothioate is C=CS/C(=N\C)c1cccc(CN)c1.
What is the InChIKey of ethenyl 3-(aminomethyl)-N-methylbenzenecarboximidothioate?
The InChIKey is ZFQVRPGLIWUPFB-QBFSEMIESA-N. The full InChI is InChI=1S/C11H14N2S/c1-3-14-11(13-2)10-6-4-5-9(7-10)8-12/h3-7H,1,8,12H2,2H3/b13-11-.
What are the key properties of ethenyl 3-(aminomethyl)-N-methylbenzenecarboximidothioate?
ethenyl 3-(aminomethyl)-N-methylbenzenecarboximidothioate has a molecular weight of 206.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 3-(aminomethyl)-N-methylbenzenecarboximidothioate is sourced from PubChem (CID 144862390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).