3-[1-(methylamino)ethyl]-N-(2-methylpropylsulfamoyl)aniline

C13H23N3O2S — CID 114814952

IUPAC3-[1-(methylamino)ethyl]-N-(2-methylpropylsulfamoyl)aniline
SMILESCNC(C)c1cccc(NS(=O)(=O)NCC(C)C)c1
InChIInChI=1S/C13H23N3O2S/c1-10(2)9-15-19(17,18)16-13-7-5-6-12(8-13)11(3)14-4/h5-8,10-11,14-16H,9H2,1-4H3
InChIKeyQCRBOPSPZUJHAE-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.87
Rot. Bonds7

About 3-[1-(methylamino)ethyl]-N-(2-methylpropylsulfamoyl)aniline

3-[1-(methylamino)ethyl]-N-(2-methylpropylsulfamoyl)aniline (PubChem CID 114814952) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 3-[1-(methylamino)ethyl]-N-(2-methylpropylsulfamoyl)aniline.

Molecular Properties

Compound Name3-[1-(methylamino)ethyl]-N-(2-methylpropylsulfamoyl)aniline
PubChem CID114814952
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name3-[1-(methylamino)ethyl]-N-(2-methylpropylsulfamoyl)aniline
SMILESCNC(C)c1cccc(NS(=O)(=O)NCC(C)C)c1
InChIInChI=1S/C13H23N3O2S/c1-10(2)9-15-19(17,18)16-13-7-5-6-12(8-13)11(3)14-4/h5-8,10-11,14-16H,9H2,1-4H3
InChIKeyQCRBOPSPZUJHAE-UHFFFAOYSA-N
XLogP1.87
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropylsulfamoyl)-3-[1-(propylamino)ethyl]aniline
CID 114814956
3-bromo-N-(2-methylpropylsulfamoyl)aniline
CID 114815403
3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine
CID 114814004
2-ethoxy-N-[3-[1-(methylamino)ethyl]phenyl]ethanesulfonamide
CID 63245607
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
4-[3-(2-methylpropylsulfamoylamino)phenyl]but-3-yn-1-ol
CID 114816397
3-bromo-N-[3-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide
CID 61458006
4-methyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-sulfonamide
CID 43508114
1-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pyrazole-4-sulfonamide
CID 62063324
4-bromo-3-methyl-N-(2-methylpropylsulfamoyl)aniline
CID 114815397
N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 112704192
(1R)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 130699454

Frequently Asked Questions

What is the IUPAC name of 3-[1-(methylamino)ethyl]-N-(2-methylpropylsulfamoyl)aniline?
The IUPAC name of 3-[1-(methylamino)ethyl]-N-(2-methylpropylsulfamoyl)aniline (CID 114814952) is 3-[1-(methylamino)ethyl]-N-(2-methylpropylsulfamoyl)aniline.
What is the SMILES notation for 3-[1-(methylamino)ethyl]-N-(2-methylpropylsulfamoyl)aniline?
The canonical SMILES for 3-[1-(methylamino)ethyl]-N-(2-methylpropylsulfamoyl)aniline is CNC(C)c1cccc(NS(=O)(=O)NCC(C)C)c1.
What is the InChIKey of 3-[1-(methylamino)ethyl]-N-(2-methylpropylsulfamoyl)aniline?
The InChIKey is QCRBOPSPZUJHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-10(2)9-15-19(17,18)16-13-7-5-6-12(8-13)11(3)14-4/h5-8,10-11,14-16H,9H2,1-4H3.
What are the key properties of 3-[1-(methylamino)ethyl]-N-(2-methylpropylsulfamoyl)aniline?
3-[1-(methylamino)ethyl]-N-(2-methylpropylsulfamoyl)aniline has a molecular weight of 285.41 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(methylamino)ethyl]-N-(2-methylpropylsulfamoyl)aniline is sourced from PubChem (CID 114814952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).