[(2-ethyl-2-hydroxybutyl)sulfamoyl-methylamino]methylbenzene

C14H24N2O3S — CID 65112961

IUPAC[(2-ethyl-2-hydroxybutyl)sulfamoyl-methylamino]methylbenzene
SMILESCCC(O)(CC)CNS(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C14H24N2O3S/c1-4-14(17,5-2)12-15-20(18,19)16(3)11-13-9-7-6-8-10-13/h6-10,15,17H,4-5,11-12H2,1-3H3
InChIKeyJTRYOXIYTZZJNL-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.50
Rot. Bonds8

About [(2-ethyl-2-hydroxybutyl)sulfamoyl-methylamino]methylbenzene

[(2-ethyl-2-hydroxybutyl)sulfamoyl-methylamino]methylbenzene (PubChem CID 65112961) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is [(2-ethyl-2-hydroxybutyl)sulfamoyl-methylamino]methylbenzene.

Molecular Properties

Compound Name[(2-ethyl-2-hydroxybutyl)sulfamoyl-methylamino]methylbenzene
PubChem CID65112961
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name[(2-ethyl-2-hydroxybutyl)sulfamoyl-methylamino]methylbenzene
SMILESCCC(O)(CC)CNS(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C14H24N2O3S/c1-4-14(17,5-2)12-15-20(18,19)16(3)11-13-9-7-6-8-10-13/h6-10,15,17H,4-5,11-12H2,1-3H3
InChIKeyJTRYOXIYTZZJNL-UHFFFAOYSA-N
XLogP1.50
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)pentan-3-ylsulfamoyl-methylamino]methylbenzene
CID 63887406
[2-(ethylamino)ethylsulfamoyl-methylamino]methylbenzene
CID 62664041
2-[[[benzyl(methyl)sulfamoyl]amino]methyl]-3-methylbutanoic acid
CID 65220733
[methyl-[2-(methylamino)ethylsulfamoyl]amino]methylbenzene
CID 62659313
[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]methylbenzene
CID 43501816
[5-hydroxypentylsulfamoyl(methyl)amino]methylbenzene
CID 107319507
(2S)-3-[[benzyl(methyl)sulfamoyl]amino]-2-hydroxypropanoic acid
CID 107835221
1-amino-4-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]benzene
CID 114804344
4-[[benzyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
CID 81066544
[methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]methylbenzene
CID 115302718
[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl-methylamino]methylbenzene
CID 79256333
2-[[benzyl(methyl)sulfamoyl]amino]-3-hydroxypropanoic acid
CID 43245147

Frequently Asked Questions

What is the IUPAC name of [(2-ethyl-2-hydroxybutyl)sulfamoyl-methylamino]methylbenzene?
The IUPAC name of [(2-ethyl-2-hydroxybutyl)sulfamoyl-methylamino]methylbenzene (CID 65112961) is [(2-ethyl-2-hydroxybutyl)sulfamoyl-methylamino]methylbenzene.
What is the SMILES notation for [(2-ethyl-2-hydroxybutyl)sulfamoyl-methylamino]methylbenzene?
The canonical SMILES for [(2-ethyl-2-hydroxybutyl)sulfamoyl-methylamino]methylbenzene is CCC(O)(CC)CNS(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of [(2-ethyl-2-hydroxybutyl)sulfamoyl-methylamino]methylbenzene?
The InChIKey is JTRYOXIYTZZJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-4-14(17,5-2)12-15-20(18,19)16(3)11-13-9-7-6-8-10-13/h6-10,15,17H,4-5,11-12H2,1-3H3.
What are the key properties of [(2-ethyl-2-hydroxybutyl)sulfamoyl-methylamino]methylbenzene?
[(2-ethyl-2-hydroxybutyl)sulfamoyl-methylamino]methylbenzene has a molecular weight of 300.42 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-ethyl-2-hydroxybutyl)sulfamoyl-methylamino]methylbenzene is sourced from PubChem (CID 65112961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).