N-(tert-butylsulfamoyl)-2-[1-(methylamino)ethyl]aniline

C13H23N3O2S — CID 114807339

IUPACN-(tert-butylsulfamoyl)-2-[1-(methylamino)ethyl]aniline
SMILESCNC(C)c1ccccc1NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C13H23N3O2S/c1-10(14-5)11-8-6-7-9-12(11)15-19(17,18)16-13(2,3)4/h6-10,14-16H,1-5H3
InChIKeyHXBMWRYUBQATRN-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.01
Rot. Bonds5

About N-(tert-butylsulfamoyl)-2-[1-(methylamino)ethyl]aniline

N-(tert-butylsulfamoyl)-2-[1-(methylamino)ethyl]aniline (PubChem CID 114807339) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(tert-butylsulfamoyl)-2-[1-(methylamino)ethyl]aniline.

Molecular Properties

Compound NameN-(tert-butylsulfamoyl)-2-[1-(methylamino)ethyl]aniline
PubChem CID114807339
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-(tert-butylsulfamoyl)-2-[1-(methylamino)ethyl]aniline
SMILESCNC(C)c1ccccc1NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C13H23N3O2S/c1-10(14-5)11-8-6-7-9-12(11)15-19(17,18)16-13(2,3)4/h6-10,14-16H,1-5H3
InChIKeyHXBMWRYUBQATRN-UHFFFAOYSA-N
XLogP2.01
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(tert-butylsulfamoyl)-2-[1-(methylamino)ethyl]aniline?
The IUPAC name of N-(tert-butylsulfamoyl)-2-[1-(methylamino)ethyl]aniline (CID 114807339) is N-(tert-butylsulfamoyl)-2-[1-(methylamino)ethyl]aniline.
What is the SMILES notation for N-(tert-butylsulfamoyl)-2-[1-(methylamino)ethyl]aniline?
The canonical SMILES for N-(tert-butylsulfamoyl)-2-[1-(methylamino)ethyl]aniline is CNC(C)c1ccccc1NS(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-(tert-butylsulfamoyl)-2-[1-(methylamino)ethyl]aniline?
The InChIKey is HXBMWRYUBQATRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-10(14-5)11-8-6-7-9-12(11)15-19(17,18)16-13(2,3)4/h6-10,14-16H,1-5H3.
What are the key properties of N-(tert-butylsulfamoyl)-2-[1-(methylamino)ethyl]aniline?
N-(tert-butylsulfamoyl)-2-[1-(methylamino)ethyl]aniline has a molecular weight of 285.41 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylsulfamoyl)-2-[1-(methylamino)ethyl]aniline is sourced from PubChem (CID 114807339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).