[(2-aminocyclopentyl)sulfamoyl-methylamino]methylbenzene

C13H21N3O2S — CID 55167989

IUPAC[(2-aminocyclopentyl)sulfamoyl-methylamino]methylbenzene
SMILESCN(Cc1ccccc1)S(=O)(=O)NC1CCCC1N
InChIInChI=1S/C13H21N3O2S/c1-16(10-11-6-3-2-4-7-11)19(17,18)15-13-9-5-8-12(13)14/h2-4,6-7,12-13,15H,5,8-10,14H2,1H3
InChIKeyGJXYUNKMHXNBAX-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.83
Rot. Bonds5

About [(2-aminocyclopentyl)sulfamoyl-methylamino]methylbenzene

[(2-aminocyclopentyl)sulfamoyl-methylamino]methylbenzene (PubChem CID 55167989) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is [(2-aminocyclopentyl)sulfamoyl-methylamino]methylbenzene.

Molecular Properties

Compound Name[(2-aminocyclopentyl)sulfamoyl-methylamino]methylbenzene
PubChem CID55167989
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name[(2-aminocyclopentyl)sulfamoyl-methylamino]methylbenzene
SMILESCN(Cc1ccccc1)S(=O)(=O)NC1CCCC1N
InChIInChI=1S/C13H21N3O2S/c1-16(10-11-6-3-2-4-7-11)19(17,18)15-13-9-5-8-12(13)14/h2-4,6-7,12-13,15H,5,8-10,14H2,1H3
InChIKeyGJXYUNKMHXNBAX-UHFFFAOYSA-N
XLogP0.83
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2-aminocyclohexyl)sulfamoyl-methylamino]methylbenzene
CID 61037886
[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]methylbenzene
CID 103835998
[methyl-[[4-(methylamino)cyclohexyl]sulfamoyl]amino]methylbenzene
CID 79118112
[(3,3-dimethylcyclopentyl)sulfamoyl-methylamino]methylbenzene
CID 115881162
(3R,4S)-1-acetyl-3-[[benzyl(methyl)sulfamoyl]amino]-4-propylpyrrolidine
CID 72928174
[3-(aminomethyl)pentan-3-ylsulfamoyl-methylamino]methylbenzene
CID 63887406
N-[(1S,2S)-2-aminocyclohexyl]-3-(bromomethyl)benzenesulfonamide
CID 97168887
[1-aminopentan-2-ylsulfamoyl(methyl)amino]methylbenzene
CID 65193127
2-[4-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]sulfanylpyrimidine
CID 175640501
[methyl-[2-(methylamino)ethylsulfamoyl]amino]methylbenzene
CID 62659313
[1-aminohexan-2-ylsulfamoyl(methyl)amino]methylbenzene
CID 80698399
3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide
CID 156605285

Frequently Asked Questions

What is the IUPAC name of [(2-aminocyclopentyl)sulfamoyl-methylamino]methylbenzene?
The IUPAC name of [(2-aminocyclopentyl)sulfamoyl-methylamino]methylbenzene (CID 55167989) is [(2-aminocyclopentyl)sulfamoyl-methylamino]methylbenzene.
What is the SMILES notation for [(2-aminocyclopentyl)sulfamoyl-methylamino]methylbenzene?
The canonical SMILES for [(2-aminocyclopentyl)sulfamoyl-methylamino]methylbenzene is CN(Cc1ccccc1)S(=O)(=O)NC1CCCC1N.
What is the InChIKey of [(2-aminocyclopentyl)sulfamoyl-methylamino]methylbenzene?
The InChIKey is GJXYUNKMHXNBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-16(10-11-6-3-2-4-7-11)19(17,18)15-13-9-5-8-12(13)14/h2-4,6-7,12-13,15H,5,8-10,14H2,1H3.
What are the key properties of [(2-aminocyclopentyl)sulfamoyl-methylamino]methylbenzene?
[(2-aminocyclopentyl)sulfamoyl-methylamino]methylbenzene has a molecular weight of 283.40 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-aminocyclopentyl)sulfamoyl-methylamino]methylbenzene is sourced from PubChem (CID 55167989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).