2-(2-aminoethoxy)-N-(2-methylpropylsulfamoyl)aniline

C12H21N3O3S — CID 114813800

IUPAC2-(2-aminoethoxy)-N-(2-methylpropylsulfamoyl)aniline
SMILESCC(C)CNS(=O)(=O)Nc1ccccc1OCCN
InChIInChI=1S/C12H21N3O3S/c1-10(2)9-14-19(16,17)15-11-5-3-4-6-12(11)18-8-7-13/h3-6,10,14-15H,7-9,13H2,1-2H3
InChIKeyQSMIPXMQMHERQG-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.93
Rot. Bonds8

About 2-(2-aminoethoxy)-N-(2-methylpropylsulfamoyl)aniline

2-(2-aminoethoxy)-N-(2-methylpropylsulfamoyl)aniline (PubChem CID 114813800) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(2-methylpropylsulfamoyl)aniline.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(2-methylpropylsulfamoyl)aniline
PubChem CID114813800
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name2-(2-aminoethoxy)-N-(2-methylpropylsulfamoyl)aniline
SMILESCC(C)CNS(=O)(=O)Nc1ccccc1OCCN
InChIInChI=1S/C12H21N3O3S/c1-10(2)9-14-19(16,17)15-11-5-3-4-6-12(11)18-8-7-13/h3-6,10,14-15H,7-9,13H2,1-2H3
InChIKeyQSMIPXMQMHERQG-UHFFFAOYSA-N
XLogP0.93
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethoxy)-N-(cyclopropylsulfamoyl)aniline
CID 114803489
N-[2-(2-aminoethoxy)phenyl]propane-1-sulfonamide
CID 43175615
4-(aminomethyl)-2-methoxy-N-(2-methylpropylsulfamoyl)aniline
CID 114813992
N-[2-(2-aminoethoxy)phenyl]-2-ethoxyethanesulfonamide
CID 63245490
1-[2-(2-methylpropylsulfamoylamino)phenyl]ethanol
CID 114815631
[2-(2-methylpropylsulfamoylamino)phenyl]methanol
CID 114815630
N-[2-(2-aminoethoxy)phenyl]azepane-1-sulfonamide
CID 43369684
N-[2-(2-aminoethoxy)phenyl]-2-methylpyrazole-3-sulfonamide
CID 104709269
N-[2-(2-methylpropoxy)phenyl]methanesulfonamide
CID 61062351
3-amino-4-(2-methylpropylsulfamoylamino)phenol
CID 107697833
3-bromo-2-methyl-N-(2-methylpropylsulfamoyl)aniline
CID 107640767
3-[2-(2-methylpropylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114816371

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(2-methylpropylsulfamoyl)aniline?
The IUPAC name of 2-(2-aminoethoxy)-N-(2-methylpropylsulfamoyl)aniline (CID 114813800) is 2-(2-aminoethoxy)-N-(2-methylpropylsulfamoyl)aniline.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(2-methylpropylsulfamoyl)aniline?
The canonical SMILES for 2-(2-aminoethoxy)-N-(2-methylpropylsulfamoyl)aniline is CC(C)CNS(=O)(=O)Nc1ccccc1OCCN.
What is the InChIKey of 2-(2-aminoethoxy)-N-(2-methylpropylsulfamoyl)aniline?
The InChIKey is QSMIPXMQMHERQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-10(2)9-14-19(16,17)15-11-5-3-4-6-12(11)18-8-7-13/h3-6,10,14-15H,7-9,13H2,1-2H3.
What are the key properties of 2-(2-aminoethoxy)-N-(2-methylpropylsulfamoyl)aniline?
2-(2-aminoethoxy)-N-(2-methylpropylsulfamoyl)aniline has a molecular weight of 287.39 g/mol, XLogP of 0.93, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(2-methylpropylsulfamoyl)aniline is sourced from PubChem (CID 114813800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).