N-(ethylsulfonimidoyl)-2-methylsulfanylaniline

C9H14N2OS2 — CID 164648391

IUPACN-(ethylsulfonimidoyl)-2-methylsulfanylaniline
SMILES[H]N=S(=O)(CC)Nc1ccccc1SC
InChIInChI=1S/C9H14N2OS2/c1-3-14(10,12)11-8-6-4-5-7-9(8)13-2/h4-7H,3H2,1-2H3,(H2,10,11,12)
InChIKeyXEMZRJUOZAHGOH-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.80
Rot. Bonds4

About N-(ethylsulfonimidoyl)-2-methylsulfanylaniline

N-(ethylsulfonimidoyl)-2-methylsulfanylaniline (PubChem CID 164648391) has the molecular formula C9H14N2OS2 and a molecular weight of 230.36 g/mol. Its IUPAC name is N-(ethylsulfonimidoyl)-2-methylsulfanylaniline.

Molecular Properties

Compound NameN-(ethylsulfonimidoyl)-2-methylsulfanylaniline
PubChem CID164648391
Molecular FormulaC9H14N2OS2
Molecular Weight230.36 g/mol
Exact Mass230.05
IUPAC NameN-(ethylsulfonimidoyl)-2-methylsulfanylaniline
SMILES[H]N=S(=O)(CC)Nc1ccccc1SC
InChIInChI=1S/C9H14N2OS2/c1-3-14(10,12)11-8-6-4-5-7-9(8)13-2/h4-7H,3H2,1-2H3,(H2,10,11,12)
InChIKeyXEMZRJUOZAHGOH-UHFFFAOYSA-N
XLogP2.80
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(ethylsulfonimidoyl)-2-methylsulfanylaniline?
The IUPAC name of N-(ethylsulfonimidoyl)-2-methylsulfanylaniline (CID 164648391) is N-(ethylsulfonimidoyl)-2-methylsulfanylaniline.
What is the SMILES notation for N-(ethylsulfonimidoyl)-2-methylsulfanylaniline?
The canonical SMILES for N-(ethylsulfonimidoyl)-2-methylsulfanylaniline is [H]N=S(=O)(CC)Nc1ccccc1SC.
What is the InChIKey of N-(ethylsulfonimidoyl)-2-methylsulfanylaniline?
The InChIKey is XEMZRJUOZAHGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS2/c1-3-14(10,12)11-8-6-4-5-7-9(8)13-2/h4-7H,3H2,1-2H3,(H2,10,11,12).
What are the key properties of N-(ethylsulfonimidoyl)-2-methylsulfanylaniline?
N-(ethylsulfonimidoyl)-2-methylsulfanylaniline has a molecular weight of 230.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylsulfonimidoyl)-2-methylsulfanylaniline is sourced from PubChem (CID 164648391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).