N-(2-cyanocyclopentyl)-2-ethoxyethanesulfonamide

C10H18N2O3S — CID 55219623

IUPACN-(2-cyanocyclopentyl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NC1CCCC1C#N
InChIInChI=1S/C10H18N2O3S/c1-2-15-6-7-16(13,14)12-10-5-3-4-9(10)8-11/h9-10,12H,2-7H2,1H3
InChIKeyMVKVGXIJMAUXML-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.63
Rot. Bonds6

About N-(2-cyanocyclopentyl)-2-ethoxyethanesulfonamide

N-(2-cyanocyclopentyl)-2-ethoxyethanesulfonamide (PubChem CID 55219623) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is N-(2-cyanocyclopentyl)-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanocyclopentyl)-2-ethoxyethanesulfonamide
PubChem CID55219623
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC NameN-(2-cyanocyclopentyl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NC1CCCC1C#N
InChIInChI=1S/C10H18N2O3S/c1-2-15-6-7-16(13,14)12-10-5-3-4-9(10)8-11/h9-10,12H,2-7H2,1H3
InChIKeyMVKVGXIJMAUXML-UHFFFAOYSA-N
XLogP0.63
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanocyclopentyl)-2-ethoxyethanesulfonamide?
The IUPAC name of N-(2-cyanocyclopentyl)-2-ethoxyethanesulfonamide (CID 55219623) is N-(2-cyanocyclopentyl)-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-(2-cyanocyclopentyl)-2-ethoxyethanesulfonamide?
The canonical SMILES for N-(2-cyanocyclopentyl)-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)NC1CCCC1C#N.
What is the InChIKey of N-(2-cyanocyclopentyl)-2-ethoxyethanesulfonamide?
The InChIKey is MVKVGXIJMAUXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-2-15-6-7-16(13,14)12-10-5-3-4-9(10)8-11/h9-10,12H,2-7H2,1H3.
What are the key properties of N-(2-cyanocyclopentyl)-2-ethoxyethanesulfonamide?
N-(2-cyanocyclopentyl)-2-ethoxyethanesulfonamide has a molecular weight of 246.33 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopentyl)-2-ethoxyethanesulfonamide is sourced from PubChem (CID 55219623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).