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

C14H25N3O2S — CID 80698399

IUPAC[1-aminohexan-2-ylsulfamoyl(methyl)amino]methylbenzene
SMILESCCCCC(CN)NS(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C14H25N3O2S/c1-3-4-10-14(11-15)16-20(18,19)17(2)12-13-8-6-5-7-9-13/h5-9,14,16H,3-4,10-12,15H2,1-2H3
InChIKeyFXCMZHJUGONYAO-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.47
Rot. Bonds9

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

[1-aminohexan-2-ylsulfamoyl(methyl)amino]methylbenzene (PubChem CID 80698399) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is [1-aminohexan-2-ylsulfamoyl(methyl)amino]methylbenzene.

Molecular Properties

Compound Name[1-aminohexan-2-ylsulfamoyl(methyl)amino]methylbenzene
PubChem CID80698399
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name[1-aminohexan-2-ylsulfamoyl(methyl)amino]methylbenzene
SMILESCCCCC(CN)NS(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C14H25N3O2S/c1-3-4-10-14(11-15)16-20(18,19)17(2)12-13-8-6-5-7-9-13/h5-9,14,16H,3-4,10-12,15H2,1-2H3
InChIKeyFXCMZHJUGONYAO-UHFFFAOYSA-N
XLogP1.47
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-aminopentan-2-ylsulfamoyl(methyl)amino]methylbenzene
CID 65193127
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
1-amino-2-(dipropylsulfamoylamino)hexane
CID 80696553
[(1-amino-4-methylpentan-2-yl)sulfamoyl-ethylamino]methylbenzene;hydrochloride
CID 119983312
2-N-benzylhexane-1,2-diamine
CID 65385282
N-(1-aminohexan-2-yl)-2-fluoro-3-methylbenzenesulfonamide
CID 120712550
[3-(aminomethyl)pentan-3-ylsulfamoyl-methylamino]methylbenzene
CID 63887406
[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl-methylamino]methylbenzene
CID 79256333
2-[[benzyl(methyl)sulfamoyl]amino]-3-hydroxypropanoic acid
CID 43245147
1-amino-2-(sulfamoylamino)hexane
CID 114959420
[methyl-[2-(methylamino)ethylsulfamoyl]amino]methylbenzene
CID 62659313
N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
CID 80697930

Frequently Asked Questions

What is the IUPAC name of [1-aminohexan-2-ylsulfamoyl(methyl)amino]methylbenzene?
The IUPAC name of [1-aminohexan-2-ylsulfamoyl(methyl)amino]methylbenzene (CID 80698399) is [1-aminohexan-2-ylsulfamoyl(methyl)amino]methylbenzene.
What is the SMILES notation for [1-aminohexan-2-ylsulfamoyl(methyl)amino]methylbenzene?
The canonical SMILES for [1-aminohexan-2-ylsulfamoyl(methyl)amino]methylbenzene is CCCCC(CN)NS(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of [1-aminohexan-2-ylsulfamoyl(methyl)amino]methylbenzene?
The InChIKey is FXCMZHJUGONYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-3-4-10-14(11-15)16-20(18,19)17(2)12-13-8-6-5-7-9-13/h5-9,14,16H,3-4,10-12,15H2,1-2H3.
What are the key properties of [1-aminohexan-2-ylsulfamoyl(methyl)amino]methylbenzene?
[1-aminohexan-2-ylsulfamoyl(methyl)amino]methylbenzene has a molecular weight of 299.44 g/mol, XLogP of 1.47, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-aminohexan-2-ylsulfamoyl(methyl)amino]methylbenzene is sourced from PubChem (CID 80698399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).