[(1-amino-4-methylpentan-2-yl)sulfamoyl-ethylamino]methylbenzene;hydrochloride

C15H28ClN3O2S — CID 119983312

IUPAC[(1-amino-4-methylpentan-2-yl)sulfamoyl-ethylamino]methylbenzene;hydrochloride
SMILESCCN(Cc1ccccc1)S(=O)(=O)NC(CN)CC(C)C.Cl
InChIInChI=1S/C15H27N3O2S.ClH/c1-4-18(12-14-8-6-5-7-9-14)21(19,20)17-15(11-16)10-13(2)3;/h5-9,13,15,17H,4,10-12,16H2,1-3H3;1H
InChIKeyFRJSSIIQTKONPF-UHFFFAOYSA-N
MW349.93 g/mol
LogP2.14
Rot. Bonds9

About [(1-amino-4-methylpentan-2-yl)sulfamoyl-ethylamino]methylbenzene;hydrochloride

[(1-amino-4-methylpentan-2-yl)sulfamoyl-ethylamino]methylbenzene;hydrochloride (PubChem CID 119983312) has the molecular formula C15H28ClN3O2S and a molecular weight of 349.93 g/mol. Its IUPAC name is [(1-amino-4-methylpentan-2-yl)sulfamoyl-ethylamino]methylbenzene;hydrochloride.

Molecular Properties

Compound Name[(1-amino-4-methylpentan-2-yl)sulfamoyl-ethylamino]methylbenzene;hydrochloride
PubChem CID119983312
Molecular FormulaC15H28ClN3O2S
Molecular Weight349.93 g/mol
Exact Mass349.16
IUPAC Name[(1-amino-4-methylpentan-2-yl)sulfamoyl-ethylamino]methylbenzene;hydrochloride
SMILESCCN(Cc1ccccc1)S(=O)(=O)NC(CN)CC(C)C.Cl
InChIInChI=1S/C15H27N3O2S.ClH/c1-4-18(12-14-8-6-5-7-9-14)21(19,20)17-15(11-16)10-13(2)3;/h5-9,13,15,17H,4,10-12,16H2,1-3H3;1H
InChIKeyFRJSSIIQTKONPF-UHFFFAOYSA-N
XLogP2.14
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.93
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-aminohexan-2-ylsulfamoyl(methyl)amino]methylbenzene
CID 80698399
[1-aminopentan-2-ylsulfamoyl(methyl)amino]methylbenzene
CID 65193127
[ethyl-[2-(methylamino)propylsulfamoyl]amino]methylbenzene;hydrochloride
CID 120825290
N-(1-amino-4-methylpentan-2-yl)-2-fluorobenzenesulfonamide;hydrochloride
CID 119983189
N-(1-amino-4-methylpentan-2-yl)-3-ethylbenzenesulfonamide;hydrochloride
CID 119983421
[(2R)-2-(diethylsulfamoylamino)-3-hydroxypropyl]benzene
CID 95040127
3-(diethylsulfamoylamino)butylbenzene
CID 86915461
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzenesulfonamide;hydrochloride
CID 119983371
2-[benzyl(ethyl)sulfamoyl]propanoic acid
CID 54947324
N'-benzyl-N'-(diethylsulfamoyl)ethane-1,2-diamine
CID 61013839
N,N'-dibenzyl-N,N'-diethylmethanedisulfonamide
CID 90121532
3-[[benzyl(ethyl)sulfamoyl]amino]pyrrolidine;hydrochloride
CID 119967112

Frequently Asked Questions

What is the IUPAC name of [(1-amino-4-methylpentan-2-yl)sulfamoyl-ethylamino]methylbenzene;hydrochloride?
The IUPAC name of [(1-amino-4-methylpentan-2-yl)sulfamoyl-ethylamino]methylbenzene;hydrochloride (CID 119983312) is [(1-amino-4-methylpentan-2-yl)sulfamoyl-ethylamino]methylbenzene;hydrochloride.
What is the SMILES notation for [(1-amino-4-methylpentan-2-yl)sulfamoyl-ethylamino]methylbenzene;hydrochloride?
The canonical SMILES for [(1-amino-4-methylpentan-2-yl)sulfamoyl-ethylamino]methylbenzene;hydrochloride is CCN(Cc1ccccc1)S(=O)(=O)NC(CN)CC(C)C.Cl.
What is the InChIKey of [(1-amino-4-methylpentan-2-yl)sulfamoyl-ethylamino]methylbenzene;hydrochloride?
The InChIKey is FRJSSIIQTKONPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S.ClH/c1-4-18(12-14-8-6-5-7-9-14)21(19,20)17-15(11-16)10-13(2)3;/h5-9,13,15,17H,4,10-12,16H2,1-3H3;1H.
What are the key properties of [(1-amino-4-methylpentan-2-yl)sulfamoyl-ethylamino]methylbenzene;hydrochloride?
[(1-amino-4-methylpentan-2-yl)sulfamoyl-ethylamino]methylbenzene;hydrochloride has a molecular weight of 349.93 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-amino-4-methylpentan-2-yl)sulfamoyl-ethylamino]methylbenzene;hydrochloride is sourced from PubChem (CID 119983312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).