N-(1-cyanocyclopentyl)-2-methoxyethanesulfonamide

C9H16N2O3S — CID 55207223

IUPACN-(1-cyanocyclopentyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NC1(C#N)CCCC1
InChIInChI=1S/C9H16N2O3S/c1-14-6-7-15(12,13)11-9(8-10)4-2-3-5-9/h11H,2-7H2,1H3
InChIKeyIDFTWTVDIZBAPD-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.39
Rot. Bonds5

About N-(1-cyanocyclopentyl)-2-methoxyethanesulfonamide

N-(1-cyanocyclopentyl)-2-methoxyethanesulfonamide (PubChem CID 55207223) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-methoxyethanesulfonamide
PubChem CID55207223
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC NameN-(1-cyanocyclopentyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NC1(C#N)CCCC1
InChIInChI=1S/C9H16N2O3S/c1-14-6-7-15(12,13)11-9(8-10)4-2-3-5-9/h11H,2-7H2,1H3
InChIKeyIDFTWTVDIZBAPD-UHFFFAOYSA-N
XLogP0.39
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-methoxyethanesulfonamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-methoxyethanesulfonamide (CID 55207223) is N-(1-cyanocyclopentyl)-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-methoxyethanesulfonamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-methoxyethanesulfonamide is COCCS(=O)(=O)NC1(C#N)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-methoxyethanesulfonamide?
The InChIKey is IDFTWTVDIZBAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-14-6-7-15(12,13)11-9(8-10)4-2-3-5-9/h11H,2-7H2,1H3.
What are the key properties of N-(1-cyanocyclopentyl)-2-methoxyethanesulfonamide?
N-(1-cyanocyclopentyl)-2-methoxyethanesulfonamide has a molecular weight of 232.30 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 55207223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).