4-[S-[ethyl(propyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline

C15H27N3OS — CID 165458769

IUPAC4-[S-[ethyl(propyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline
SMILESCCCN(CC)S(=O)(=NCC(C)C)c1ccc(N)cc1
InChIInChI=1S/C15H27N3OS/c1-5-11-18(6-2)20(19,17-12-13(3)4)15-9-7-14(16)8-10-15/h7-10,13H,5-6,11-12,16H2,1-4H3
InChIKeyWSDFMXUEUXQDFG-UHFFFAOYSA-N
MW297.47 g/mol
LogP3.40
Rot. Bonds7

About 4-[S-[ethyl(propyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline

4-[S-[ethyl(propyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline (PubChem CID 165458769) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 4-[S-[ethyl(propyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline.

Molecular Properties

Compound Name4-[S-[ethyl(propyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline
PubChem CID165458769
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name4-[S-[ethyl(propyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline
SMILESCCCN(CC)S(=O)(=NCC(C)C)c1ccc(N)cc1
InChIInChI=1S/C15H27N3OS/c1-5-11-18(6-2)20(19,17-12-13(3)4)15-9-7-14(16)8-10-15/h7-10,13H,5-6,11-12,16H2,1-4H3
InChIKeyWSDFMXUEUXQDFG-UHFFFAOYSA-N
XLogP3.40
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[S-[ethyl(propyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline?
The IUPAC name of 4-[S-[ethyl(propyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline (CID 165458769) is 4-[S-[ethyl(propyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline.
What is the SMILES notation for 4-[S-[ethyl(propyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline?
The canonical SMILES for 4-[S-[ethyl(propyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline is CCCN(CC)S(=O)(=NCC(C)C)c1ccc(N)cc1.
What is the InChIKey of 4-[S-[ethyl(propyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline?
The InChIKey is WSDFMXUEUXQDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-5-11-18(6-2)20(19,17-12-13(3)4)15-9-7-14(16)8-10-15/h7-10,13H,5-6,11-12,16H2,1-4H3.
What are the key properties of 4-[S-[ethyl(propyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline?
4-[S-[ethyl(propyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline has a molecular weight of 297.47 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[S-[ethyl(propyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline is sourced from PubChem (CID 165458769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).