[3-(aminomethyl)pentan-3-ylsulfamoyl-methylamino]methylbenzene

C14H25N3O2S — CID 63887406

IUPAC[3-(aminomethyl)pentan-3-ylsulfamoyl-methylamino]methylbenzene
SMILESCCC(CC)(CN)NS(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C14H25N3O2S/c1-4-14(5-2,12-15)16-20(18,19)17(3)11-13-9-7-6-8-10-13/h6-10,16H,4-5,11-12,15H2,1-3H3
InChIKeyDRHVVHYFANVQAQ-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.47
Rot. Bonds8

About [3-(aminomethyl)pentan-3-ylsulfamoyl-methylamino]methylbenzene

[3-(aminomethyl)pentan-3-ylsulfamoyl-methylamino]methylbenzene (PubChem CID 63887406) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is [3-(aminomethyl)pentan-3-ylsulfamoyl-methylamino]methylbenzene.

Molecular Properties

Compound Name[3-(aminomethyl)pentan-3-ylsulfamoyl-methylamino]methylbenzene
PubChem CID63887406
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name[3-(aminomethyl)pentan-3-ylsulfamoyl-methylamino]methylbenzene
SMILESCCC(CC)(CN)NS(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C14H25N3O2S/c1-4-14(5-2,12-15)16-20(18,19)17(3)11-13-9-7-6-8-10-13/h6-10,16H,4-5,11-12,15H2,1-3H3
InChIKeyDRHVVHYFANVQAQ-UHFFFAOYSA-N
XLogP1.47
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]methylbenzene
CID 43501816
[(2-ethyl-2-hydroxybutyl)sulfamoyl-methylamino]methylbenzene
CID 65112961
N-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride
CID 119981214
1-(aminomethyl)-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene
CID 114803642
[1-aminopentan-2-ylsulfamoyl(methyl)amino]methylbenzene
CID 65193127
[2-(ethylamino)ethylsulfamoyl-methylamino]methylbenzene
CID 62664041
[methyl-[2-(methylamino)ethylsulfamoyl]amino]methylbenzene
CID 62659313
[1-aminohexan-2-ylsulfamoyl(methyl)amino]methylbenzene
CID 80698399
1-amino-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene
CID 114804346
[(2-aminocyclopentyl)sulfamoyl-methylamino]methylbenzene
CID 55167989
[(2-aminocyclohexyl)sulfamoyl-methylamino]methylbenzene
CID 61037886
2-[[[benzyl(methyl)sulfamoyl]amino]methyl]-3-methylbutanoic acid
CID 65220733

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pentan-3-ylsulfamoyl-methylamino]methylbenzene?
The IUPAC name of [3-(aminomethyl)pentan-3-ylsulfamoyl-methylamino]methylbenzene (CID 63887406) is [3-(aminomethyl)pentan-3-ylsulfamoyl-methylamino]methylbenzene.
What is the SMILES notation for [3-(aminomethyl)pentan-3-ylsulfamoyl-methylamino]methylbenzene?
The canonical SMILES for [3-(aminomethyl)pentan-3-ylsulfamoyl-methylamino]methylbenzene is CCC(CC)(CN)NS(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of [3-(aminomethyl)pentan-3-ylsulfamoyl-methylamino]methylbenzene?
The InChIKey is DRHVVHYFANVQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-4-14(5-2,12-15)16-20(18,19)17(3)11-13-9-7-6-8-10-13/h6-10,16H,4-5,11-12,15H2,1-3H3.
What are the key properties of [3-(aminomethyl)pentan-3-ylsulfamoyl-methylamino]methylbenzene?
[3-(aminomethyl)pentan-3-ylsulfamoyl-methylamino]methylbenzene has a molecular weight of 299.44 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pentan-3-ylsulfamoyl-methylamino]methylbenzene is sourced from PubChem (CID 63887406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).