N'-[3-(aminomethyl)phenyl]-2-methylsulfanylethanimidamide

C10H15N3S — CID 10761718

IUPACN'-[3-(aminomethyl)phenyl]-2-methylsulfanylethanimidamide
SMILESCSC/C(N)=N\c1cccc(CN)c1
InChIInChI=1S/C10H15N3S/c1-14-7-10(12)13-9-4-2-3-8(5-9)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)
InChIKeyPYGPVCGDWRVSFT-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.50
Rot. Bonds4

About N'-[3-(aminomethyl)phenyl]-2-methylsulfanylethanimidamide

N'-[3-(aminomethyl)phenyl]-2-methylsulfanylethanimidamide (PubChem CID 10761718) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is N'-[3-(aminomethyl)phenyl]-2-methylsulfanylethanimidamide.

Molecular Properties

Compound NameN'-[3-(aminomethyl)phenyl]-2-methylsulfanylethanimidamide
PubChem CID10761718
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC NameN'-[3-(aminomethyl)phenyl]-2-methylsulfanylethanimidamide
SMILESCSC/C(N)=N\c1cccc(CN)c1
InChIInChI=1S/C10H15N3S/c1-14-7-10(12)13-9-4-2-3-8(5-9)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)
InChIKeyPYGPVCGDWRVSFT-UHFFFAOYSA-N
XLogP1.50
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[3-(aminomethyl)phenyl]-2-methylsulfanylethanimidamide 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

N-(3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2731145
methyl N-cyano-N'-(3-methylphenyl)carbamimidothioate
CID 332698
N-(3-Aminomethyl-phenyl)-2-fluoro-acetamidine
CID 10176386
N-(3-Dimethylaminomethyl-phenyl)-acetamidine
CID 10521987
N-[3-(2-Amino-ethyl)-phenyl]-acetamidine
CID 10562607
N-(3-Methylaminomethyl-phenyl)-acetamidine
CID 10569061
3-Acetimidoylamino-benzamidine
CID 10776989
2-Amino-N-(3-aminomethyl-phenyl)-acetamidine
CID 10788294
2-Ethyl-1-p-tolyl-isothiourea; hydrochloride
CID 10797903
N-(3-Aminomethyl-phenyl)-acetamidine
CID 18356525
N'-[4-(aminomethyl)phenyl]ethanimidamide;dihydrochloride
CID 45261184
N'-[3-(aminomethyl)phenyl]-2-fluoroethanimidamide;dihydrobromide
CID 10427532

Frequently Asked Questions

What is the IUPAC name of N'-[3-(aminomethyl)phenyl]-2-methylsulfanylethanimidamide?
The IUPAC name of N'-[3-(aminomethyl)phenyl]-2-methylsulfanylethanimidamide (CID 10761718) is N'-[3-(aminomethyl)phenyl]-2-methylsulfanylethanimidamide.
What is the SMILES notation for N'-[3-(aminomethyl)phenyl]-2-methylsulfanylethanimidamide?
The canonical SMILES for N'-[3-(aminomethyl)phenyl]-2-methylsulfanylethanimidamide is CSC/C(N)=N\c1cccc(CN)c1.
What is the InChIKey of N'-[3-(aminomethyl)phenyl]-2-methylsulfanylethanimidamide?
The InChIKey is PYGPVCGDWRVSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-14-7-10(12)13-9-4-2-3-8(5-9)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13).
What are the key properties of N'-[3-(aminomethyl)phenyl]-2-methylsulfanylethanimidamide?
N'-[3-(aminomethyl)phenyl]-2-methylsulfanylethanimidamide has a molecular weight of 209.32 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(aminomethyl)phenyl]-2-methylsulfanylethanimidamide is sourced from PubChem (CID 10761718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).