1-[1-(methylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene

C13H23N3O2S — CID 61455735

IUPAC1-[1-(methylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
SMILESCNC(C)c1ccccc1NS(=O)(=O)N(C)C(C)C
InChIInChI=1S/C13H23N3O2S/c1-10(2)16(5)19(17,18)15-13-9-7-6-8-12(13)11(3)14-4/h6-11,14-15H,1-5H3
InChIKeyGGLYWFZASXNNJH-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.96
Rot. Bonds6

About 1-[1-(methylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene

1-[1-(methylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene (PubChem CID 61455735) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-[1-(methylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene.

Molecular Properties

Compound Name1-[1-(methylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
PubChem CID61455735
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name1-[1-(methylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
SMILESCNC(C)c1ccccc1NS(=O)(=O)N(C)C(C)C
InChIInChI=1S/C13H23N3O2S/c1-10(2)16(5)19(17,18)15-13-9-7-6-8-12(13)11(3)14-4/h6-11,14-15H,1-5H3
InChIKeyGGLYWFZASXNNJH-UHFFFAOYSA-N
XLogP1.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(dimethylsulfamoylamino)-2-[1-(methylamino)ethyl]benzene
CID 43508162
1-[1-(ethylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 61455736
N-(tert-butylsulfamoyl)-2-[1-(methylamino)ethyl]aniline
CID 114807339
1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947668
2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]acetic acid
CID 62536120
1-ethyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-sulfonamide
CID 79369162
1-(1-bromoethyl)-2-(diethylsulfamoylamino)benzene
CID 113271126
1-(dimethylsulfamoylamino)-2-propan-2-ylsulfanylbenzene
CID 71851414
2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenoxy]ethanethioamide
CID 61453978
1-cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947831
1-ethynyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947305
2-amino-1,3-dimethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947886

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The IUPAC name of 1-[1-(methylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene (CID 61455735) is 1-[1-(methylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene.
What is the SMILES notation for 1-[1-(methylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The canonical SMILES for 1-[1-(methylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene is CNC(C)c1ccccc1NS(=O)(=O)N(C)C(C)C.
What is the InChIKey of 1-[1-(methylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The InChIKey is GGLYWFZASXNNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-10(2)16(5)19(17,18)15-13-9-7-6-8-12(13)11(3)14-4/h6-11,14-15H,1-5H3.
What are the key properties of 1-[1-(methylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
1-[1-(methylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene has a molecular weight of 285.41 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene is sourced from PubChem (CID 61455735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).