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

C12H21N3O2S — CID 61453712

IUPAC[1-amino-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
SMILESCC(C)N(C)S(=O)(=O)NCC(N)c1ccccc1
InChIInChI=1S/C12H21N3O2S/c1-10(2)15(3)18(16,17)14-9-12(13)11-7-5-4-6-8-11/h4-8,10,12,14H,9,13H2,1-3H3
InChIKeyQFQGUQUZDLLNFI-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.86
Rot. Bonds6

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

[1-amino-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene (PubChem CID 61453712) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is [1-amino-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene.

Molecular Properties

Compound Name[1-amino-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
PubChem CID61453712
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name[1-amino-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
SMILESCC(C)N(C)S(=O)(=O)NCC(N)c1ccccc1
InChIInChI=1S/C12H21N3O2S/c1-10(2)15(3)18(16,17)14-9-12(13)11-7-5-4-6-8-11/h4-8,10,12,14H,9,13H2,1-3H3
InChIKeyQFQGUQUZDLLNFI-UHFFFAOYSA-N
XLogP0.86
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-amino-2-[[ethyl(methyl)sulfamoyl]amino]ethyl]benzene
CID 119976145
N-[(2R)-2-amino-2-phenylethyl]methanesulfonamide
CID 10656269
[(2S,3S)-3,4-bis[[methyl(propan-2-yl)sulfamoyl]amino]butan-2-yl]benzene
CID 124880364
[(2R,3S)-3,4-bis[[methyl(propan-2-yl)sulfamoyl]amino]butan-2-yl]benzene
CID 124880366
[1-amino-2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]benzene
CID 119976299
[methyl-[(2R)-1-[[methyl(propan-2-yl)sulfamoyl]amino]propan-2-yl]amino]benzene
CID 94025295
[2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
CID 55151705
N-(2-amino-2-phenylethyl)-2-ethylbutane-1-sulfonamide;hydrochloride
CID 119976164
N-[(2S)-2-amino-2-phenylethyl]-3,3-dimethylbutane-1-sulfonamide
CID 99850241
N-(2-amino-2-phenylethyl)prop-2-ene-1-sulfonamide
CID 79672706
1-(aminomethyl)-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene
CID 62951963
N-(2-amino-2-phenylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride
CID 119976308

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene?
The IUPAC name of [1-amino-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene (CID 61453712) is [1-amino-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene.
What is the SMILES notation for [1-amino-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene?
The canonical SMILES for [1-amino-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene is CC(C)N(C)S(=O)(=O)NCC(N)c1ccccc1.
What is the InChIKey of [1-amino-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene?
The InChIKey is QFQGUQUZDLLNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-10(2)15(3)18(16,17)14-9-12(13)11-7-5-4-6-8-11/h4-8,10,12,14H,9,13H2,1-3H3.
What are the key properties of [1-amino-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene?
[1-amino-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene has a molecular weight of 271.39 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene is sourced from PubChem (CID 61453712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).