2-[N-ethyl-S-[(4-methylphenyl)methyl]sulfonimidoyl]ethanamine

C12H20N2OS — CID 112540701

IUPAC2-[N-ethyl-S-[(4-methylphenyl)methyl]sulfonimidoyl]ethanamine
SMILESCCN=S(=O)(CCN)Cc1ccc(C)cc1
InChIInChI=1S/C12H20N2OS/c1-3-14-16(15,9-8-13)10-12-6-4-11(2)5-7-12/h4-7H,3,8-10,13H2,1-2H3
InChIKeyHYIVYRBHEVKFOP-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.94
Rot. Bonds5

About 2-[N-ethyl-S-[(4-methylphenyl)methyl]sulfonimidoyl]ethanamine

2-[N-ethyl-S-[(4-methylphenyl)methyl]sulfonimidoyl]ethanamine (PubChem CID 112540701) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-[N-ethyl-S-[(4-methylphenyl)methyl]sulfonimidoyl]ethanamine.

Molecular Properties

Compound Name2-[N-ethyl-S-[(4-methylphenyl)methyl]sulfonimidoyl]ethanamine
PubChem CID112540701
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-[N-ethyl-S-[(4-methylphenyl)methyl]sulfonimidoyl]ethanamine
SMILESCCN=S(=O)(CCN)Cc1ccc(C)cc1
InChIInChI=1S/C12H20N2OS/c1-3-14-16(15,9-8-13)10-12-6-4-11(2)5-7-12/h4-7H,3,8-10,13H2,1-2H3
InChIKeyHYIVYRBHEVKFOP-UHFFFAOYSA-N
XLogP1.94
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-S-[(4-methylphenyl)methyl]sulfonimidoyl]ethanamine?
The IUPAC name of 2-[N-ethyl-S-[(4-methylphenyl)methyl]sulfonimidoyl]ethanamine (CID 112540701) is 2-[N-ethyl-S-[(4-methylphenyl)methyl]sulfonimidoyl]ethanamine.
What is the SMILES notation for 2-[N-ethyl-S-[(4-methylphenyl)methyl]sulfonimidoyl]ethanamine?
The canonical SMILES for 2-[N-ethyl-S-[(4-methylphenyl)methyl]sulfonimidoyl]ethanamine is CCN=S(=O)(CCN)Cc1ccc(C)cc1.
What is the InChIKey of 2-[N-ethyl-S-[(4-methylphenyl)methyl]sulfonimidoyl]ethanamine?
The InChIKey is HYIVYRBHEVKFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-14-16(15,9-8-13)10-12-6-4-11(2)5-7-12/h4-7H,3,8-10,13H2,1-2H3.
What are the key properties of 2-[N-ethyl-S-[(4-methylphenyl)methyl]sulfonimidoyl]ethanamine?
2-[N-ethyl-S-[(4-methylphenyl)methyl]sulfonimidoyl]ethanamine has a molecular weight of 240.37 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-S-[(4-methylphenyl)methyl]sulfonimidoyl]ethanamine is sourced from PubChem (CID 112540701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).