[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]methylbenzene

C14H22N2O3S — CID 103835998

IUPAC[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]methylbenzene
SMILESCN(Cc1ccccc1)S(=O)(=O)NC1CCCC1CO
InChIInChI=1S/C14H22N2O3S/c1-16(10-12-6-3-2-4-7-12)20(18,19)15-14-9-5-8-13(14)11-17/h2-4,6-7,13-15,17H,5,8-11H2,1H3
InChIKeyHQVMFVLGYOBSAX-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.11
Rot. Bonds6

About [[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]methylbenzene

[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]methylbenzene (PubChem CID 103835998) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is [[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]methylbenzene.

Molecular Properties

Compound Name[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]methylbenzene
PubChem CID103835998
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]methylbenzene
SMILESCN(Cc1ccccc1)S(=O)(=O)NC1CCCC1CO
InChIInChI=1S/C14H22N2O3S/c1-16(10-12-6-3-2-4-7-12)20(18,19)15-14-9-5-8-13(14)11-17/h2-4,6-7,13-15,17H,5,8-11H2,1H3
InChIKeyHQVMFVLGYOBSAX-UHFFFAOYSA-N
XLogP1.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2-aminocyclopentyl)sulfamoyl-methylamino]methylbenzene
CID 55167989
[(2-aminocyclohexyl)sulfamoyl-methylamino]methylbenzene
CID 61037886
[methyl-[[4-(methylamino)cyclohexyl]sulfamoyl]amino]methylbenzene
CID 79118112
methyl 3-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]propanoate
CID 113318668
2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836039
[(3,3-dimethylcyclopentyl)sulfamoyl-methylamino]methylbenzene
CID 115881162
(3R,4S)-1-acetyl-3-[[benzyl(methyl)sulfamoyl]amino]-4-propylpyrrolidine
CID 72928174
N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 103697796
[5-hydroxypentylsulfamoyl(methyl)amino]methylbenzene
CID 107319507
4-ethyl-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103835956
[2-(2-phenylethylamino)cyclopentyl]methanol
CID 104864522
[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]methylbenzene
CID 43501816

Frequently Asked Questions

What is the IUPAC name of [[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]methylbenzene?
The IUPAC name of [[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]methylbenzene (CID 103835998) is [[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]methylbenzene.
What is the SMILES notation for [[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]methylbenzene?
The canonical SMILES for [[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]methylbenzene is CN(Cc1ccccc1)S(=O)(=O)NC1CCCC1CO.
What is the InChIKey of [[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]methylbenzene?
The InChIKey is HQVMFVLGYOBSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-16(10-12-6-3-2-4-7-12)20(18,19)15-14-9-5-8-13(14)11-17/h2-4,6-7,13-15,17H,5,8-11H2,1H3.
What are the key properties of [[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]methylbenzene?
[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]methylbenzene has a molecular weight of 298.41 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]methylbenzene is sourced from PubChem (CID 103835998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).