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

C12H21N3O2S — CID 55151705

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

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

[2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene (PubChem CID 55151705) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is [2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene.

Molecular Properties

Compound Name[2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
PubChem CID55151705
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name[2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
SMILESCC(C)N(C)S(=O)(=O)NC(CN)c1ccccc1
InChIInChI=1S/C12H21N3O2S/c1-10(2)15(3)18(16,17)14-12(9-13)11-7-5-4-6-8-11/h4-8,10,12,14H,9,13H2,1-3H3
InChIKeyNQMXDGPMSWXQJA-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

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CID 61455733
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CID 61453712
[cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene
CID 54947098
[(2S,3S)-3,4-bis[[methyl(propan-2-yl)sulfamoyl]amino]butan-2-yl]benzene
CID 124880364
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CID 124880366
[2-chloro-1-(dimethylsulfamoylamino)ethyl]benzene
CID 65030819
N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
CID 18003405
2-[2-amino-1-(dimethylsulfamoylamino)ethyl]naphthalene
CID 120584363
[2-(dimethylsulfamoylamino)-2-phenylethyl]benzene
CID 42955151
N-(2-amino-1-phenylethyl)-3-methoxypropane-1-sulfonamide
CID 63290200
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CID 61124934
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CID 75387205

Frequently Asked Questions

What is the IUPAC name of [2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene?
The IUPAC name of [2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene (CID 55151705) is [2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene.
What is the SMILES notation for [2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene?
The canonical SMILES for [2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene is CC(C)N(C)S(=O)(=O)NC(CN)c1ccccc1.
What is the InChIKey of [2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene?
The InChIKey is NQMXDGPMSWXQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-10(2)15(3)18(16,17)14-12(9-13)11-7-5-4-6-8-11/h4-8,10,12,14H,9,13H2,1-3H3.
What are the key properties of [2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene?
[2-amino-1-[[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 [2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene is sourced from PubChem (CID 55151705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).