[[2-cyanoethyl(methyl)sulfamoyl]amino]methylcyclopentane

C10H19N3O2S — CID 47171424

IUPAC[[2-cyanoethyl(methyl)sulfamoyl]amino]methylcyclopentane
SMILESCN(CCC#N)S(=O)(=O)NCC1CCCC1
InChIInChI=1S/C10H19N3O2S/c1-13(8-4-7-11)16(14,15)12-9-10-5-2-3-6-10/h10,12H,2-6,8-9H2,1H3
InChIKeyKQWUALYTLWBZIP-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.86
Rot. Bonds6

About [[2-cyanoethyl(methyl)sulfamoyl]amino]methylcyclopentane

[[2-cyanoethyl(methyl)sulfamoyl]amino]methylcyclopentane (PubChem CID 47171424) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is [[2-cyanoethyl(methyl)sulfamoyl]amino]methylcyclopentane.

Molecular Properties

Compound Name[[2-cyanoethyl(methyl)sulfamoyl]amino]methylcyclopentane
PubChem CID47171424
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name[[2-cyanoethyl(methyl)sulfamoyl]amino]methylcyclopentane
SMILESCN(CCC#N)S(=O)(=O)NCC1CCCC1
InChIInChI=1S/C10H19N3O2S/c1-13(8-4-7-11)16(14,15)12-9-10-5-2-3-6-10/h10,12H,2-6,8-9H2,1H3
InChIKeyKQWUALYTLWBZIP-UHFFFAOYSA-N
XLogP0.86
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[[Cyanomethyl(methyl)sulfamoyl]amino]methylcyclohexane
CID 144231011
(Dimethylsulfamoylamino)methylcyclopentane
CID 34121594
2-[[3-Aminopropyl(methyl)sulfamoyl]amino]ethylcyclopentane
CID 54952302
1-Cyano-1-(diethylsulfamoylamino)cyclopentane
CID 55029365
1-[[[3-Aminopropyl(methyl)sulfamoyl]amino]methyl]-1-methylcyclopentane
CID 55261018
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane
CID 61453751
[[3-Aminopropyl(methyl)sulfamoyl]amino]methylcyclopentane
CID 61456388
1-Cyano-2-(dimethylsulfamoylamino)cyclopentane
CID 62961810
1-Cyano-2-(diethylsulfamoylamino)cyclopentane
CID 62963080
1-Cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane
CID 62963450
1-[[3-Aminopropyl(methyl)sulfamoyl]amino]-2-methylcyclopentane
CID 63281588
N'-[cyclopentylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 63630912

Frequently Asked Questions

What is the IUPAC name of [[2-cyanoethyl(methyl)sulfamoyl]amino]methylcyclopentane?
The IUPAC name of [[2-cyanoethyl(methyl)sulfamoyl]amino]methylcyclopentane (CID 47171424) is [[2-cyanoethyl(methyl)sulfamoyl]amino]methylcyclopentane.
What is the SMILES notation for [[2-cyanoethyl(methyl)sulfamoyl]amino]methylcyclopentane?
The canonical SMILES for [[2-cyanoethyl(methyl)sulfamoyl]amino]methylcyclopentane is CN(CCC#N)S(=O)(=O)NCC1CCCC1.
What is the InChIKey of [[2-cyanoethyl(methyl)sulfamoyl]amino]methylcyclopentane?
The InChIKey is KQWUALYTLWBZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-13(8-4-7-11)16(14,15)12-9-10-5-2-3-6-10/h10,12H,2-6,8-9H2,1H3.
What are the key properties of [[2-cyanoethyl(methyl)sulfamoyl]amino]methylcyclopentane?
[[2-cyanoethyl(methyl)sulfamoyl]amino]methylcyclopentane has a molecular weight of 245.35 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-cyanoethyl(methyl)sulfamoyl]amino]methylcyclopentane is sourced from PubChem (CID 47171424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).