N'-[2-(2-aminoethyl)phenyl]-2-methylsulfanylethanimidamide

C11H17N3S — CID 149344131

IUPACN'-[2-(2-aminoethyl)phenyl]-2-methylsulfanylethanimidamide
SMILESCSC/C(N)=N\c1ccccc1CCN
InChIInChI=1S/C11H17N3S/c1-15-8-11(13)14-10-5-3-2-4-9(10)6-7-12/h2-5H,6-8,12H2,1H3,(H2,13,14)
InChIKeyYESZOHNTFQYVRD-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.54
Rot. Bonds5

About N'-[2-(2-aminoethyl)phenyl]-2-methylsulfanylethanimidamide

N'-[2-(2-aminoethyl)phenyl]-2-methylsulfanylethanimidamide (PubChem CID 149344131) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N'-[2-(2-aminoethyl)phenyl]-2-methylsulfanylethanimidamide.

Molecular Properties

Compound NameN'-[2-(2-aminoethyl)phenyl]-2-methylsulfanylethanimidamide
PubChem CID149344131
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC NameN'-[2-(2-aminoethyl)phenyl]-2-methylsulfanylethanimidamide
SMILESCSC/C(N)=N\c1ccccc1CCN
InChIInChI=1S/C11H17N3S/c1-15-8-11(13)14-10-5-3-2-4-9(10)6-7-12/h2-5H,6-8,12H2,1H3,(H2,13,14)
InChIKeyYESZOHNTFQYVRD-UHFFFAOYSA-N
XLogP1.54
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.54
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-aminoethyl)phenyl]-2-methylsulfanylethanimidamide?
The IUPAC name of N'-[2-(2-aminoethyl)phenyl]-2-methylsulfanylethanimidamide (CID 149344131) is N'-[2-(2-aminoethyl)phenyl]-2-methylsulfanylethanimidamide.
What is the SMILES notation for N'-[2-(2-aminoethyl)phenyl]-2-methylsulfanylethanimidamide?
The canonical SMILES for N'-[2-(2-aminoethyl)phenyl]-2-methylsulfanylethanimidamide is CSC/C(N)=N\c1ccccc1CCN.
What is the InChIKey of N'-[2-(2-aminoethyl)phenyl]-2-methylsulfanylethanimidamide?
The InChIKey is YESZOHNTFQYVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-15-8-11(13)14-10-5-3-2-4-9(10)6-7-12/h2-5H,6-8,12H2,1H3,(H2,13,14).
What are the key properties of N'-[2-(2-aminoethyl)phenyl]-2-methylsulfanylethanimidamide?
N'-[2-(2-aminoethyl)phenyl]-2-methylsulfanylethanimidamide has a molecular weight of 223.34 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-aminoethyl)phenyl]-2-methylsulfanylethanimidamide is sourced from PubChem (CID 149344131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).