[1-aminopentan-2-ylsulfamoyl(methyl)amino]methylbenzene

C13H23N3O2S — CID 65193127

IUPAC[1-aminopentan-2-ylsulfamoyl(methyl)amino]methylbenzene
SMILESCCCC(CN)NS(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H23N3O2S/c1-3-7-13(10-14)15-19(17,18)16(2)11-12-8-5-4-6-9-12/h4-6,8-9,13,15H,3,7,10-11,14H2,1-2H3
InChIKeyQCRQHQWGEBKXJI-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.08
Rot. Bonds8

About [1-aminopentan-2-ylsulfamoyl(methyl)amino]methylbenzene

[1-aminopentan-2-ylsulfamoyl(methyl)amino]methylbenzene (PubChem CID 65193127) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is [1-aminopentan-2-ylsulfamoyl(methyl)amino]methylbenzene.

Molecular Properties

Compound Name[1-aminopentan-2-ylsulfamoyl(methyl)amino]methylbenzene
PubChem CID65193127
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name[1-aminopentan-2-ylsulfamoyl(methyl)amino]methylbenzene
SMILESCCCC(CN)NS(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H23N3O2S/c1-3-7-13(10-14)15-19(17,18)16(2)11-12-8-5-4-6-9-12/h4-6,8-9,13,15H,3,7,10-11,14H2,1-2H3
InChIKeyQCRQHQWGEBKXJI-UHFFFAOYSA-N
XLogP1.08
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 80698399
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[(1-amino-4-methylpentan-2-yl)sulfamoyl-ethylamino]methylbenzene;hydrochloride
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[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl-methylamino]methylbenzene
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N-(1-aminopentan-2-yl)-2-phenylacetamide
CID 65191478
[2-(ethylamino)ethylsulfamoyl-methylamino]methylbenzene
CID 62664041
[(2-aminocyclopentyl)sulfamoyl-methylamino]methylbenzene
CID 55167989
[(2-aminocyclohexyl)sulfamoyl-methylamino]methylbenzene
CID 61037886
[methyl-[2-(methylamino)ethylsulfamoyl]amino]methylbenzene
CID 62659313
[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]methylbenzene
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(2S)-3-[[benzyl(methyl)sulfamoyl]amino]-2-hydroxypropanoic acid
CID 107835221

Frequently Asked Questions

What is the IUPAC name of [1-aminopentan-2-ylsulfamoyl(methyl)amino]methylbenzene?
The IUPAC name of [1-aminopentan-2-ylsulfamoyl(methyl)amino]methylbenzene (CID 65193127) is [1-aminopentan-2-ylsulfamoyl(methyl)amino]methylbenzene.
What is the SMILES notation for [1-aminopentan-2-ylsulfamoyl(methyl)amino]methylbenzene?
The canonical SMILES for [1-aminopentan-2-ylsulfamoyl(methyl)amino]methylbenzene is CCCC(CN)NS(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of [1-aminopentan-2-ylsulfamoyl(methyl)amino]methylbenzene?
The InChIKey is QCRQHQWGEBKXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-3-7-13(10-14)15-19(17,18)16(2)11-12-8-5-4-6-9-12/h4-6,8-9,13,15H,3,7,10-11,14H2,1-2H3.
What are the key properties of [1-aminopentan-2-ylsulfamoyl(methyl)amino]methylbenzene?
[1-aminopentan-2-ylsulfamoyl(methyl)amino]methylbenzene has a molecular weight of 285.41 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-aminopentan-2-ylsulfamoyl(methyl)amino]methylbenzene is sourced from PubChem (CID 65193127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).