[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]methylbenzene

C12H20N2O3S — CID 43501816

IUPAC[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]methylbenzene
SMILESCN(Cc1ccccc1)S(=O)(=O)NC(C)(C)CO
InChIInChI=1S/C12H20N2O3S/c1-12(2,10-15)13-18(16,17)14(3)9-11-7-5-4-6-8-11/h4-8,13,15H,9-10H2,1-3H3
InChIKeyBUGGQTGXSXWULS-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.72
Rot. Bonds6

About [(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]methylbenzene

[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]methylbenzene (PubChem CID 43501816) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is [(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]methylbenzene.

Molecular Properties

Compound Name[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]methylbenzene
PubChem CID43501816
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]methylbenzene
SMILESCN(Cc1ccccc1)S(=O)(=O)NC(C)(C)CO
InChIInChI=1S/C12H20N2O3S/c1-12(2,10-15)13-18(16,17)14(3)9-11-7-5-4-6-8-11/h4-8,13,15H,9-10H2,1-3H3
InChIKeyBUGGQTGXSXWULS-UHFFFAOYSA-N
XLogP0.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)pentan-3-ylsulfamoyl-methylamino]methylbenzene
CID 63887406
2-[[benzyl(methyl)sulfamoyl]amino]-3-hydroxypropanoic acid
CID 43245147
[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl-methylamino]methylbenzene
CID 79256333
[5-hydroxypentylsulfamoyl(methyl)amino]methylbenzene
CID 107319507
[(2-ethyl-2-hydroxybutyl)sulfamoyl-methylamino]methylbenzene
CID 65112961
2-[[[benzyl(methyl)sulfamoyl]amino]methyl]-3-methylbutanoic acid
CID 65220733
[methyl-[2-(methylamino)ethylsulfamoyl]amino]methylbenzene
CID 62659313
1-amino-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene
CID 114804346
1-(aminomethyl)-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene
CID 114803642
(2S)-3-[[benzyl(methyl)sulfamoyl]amino]-2-hydroxypropanoic acid
CID 107835221
1-[[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl-methylamino]methyl]-3-methoxybenzene
CID 64556823
[2-(ethylamino)ethylsulfamoyl-methylamino]methylbenzene
CID 62664041

Frequently Asked Questions

What is the IUPAC name of [(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]methylbenzene?
The IUPAC name of [(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]methylbenzene (CID 43501816) is [(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]methylbenzene.
What is the SMILES notation for [(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]methylbenzene?
The canonical SMILES for [(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]methylbenzene is CN(Cc1ccccc1)S(=O)(=O)NC(C)(C)CO.
What is the InChIKey of [(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]methylbenzene?
The InChIKey is BUGGQTGXSXWULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-12(2,10-15)13-18(16,17)14(3)9-11-7-5-4-6-8-11/h4-8,13,15H,9-10H2,1-3H3.
What are the key properties of [(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]methylbenzene?
[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]methylbenzene has a molecular weight of 272.37 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]methylbenzene is sourced from PubChem (CID 43501816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).