N-(2-cyanocyclopentyl)-2-methylsulfonylethanesulfonamide

C9H16N2O4S2 — CID 55174082

IUPACN-(2-cyanocyclopentyl)-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)NC1CCCC1C#N
InChIInChI=1S/C9H16N2O4S2/c1-16(12,13)5-6-17(14,15)11-9-4-2-3-8(9)7-10/h8-9,11H,2-6H2,1H3
InChIKeyUQSIMTIUGCBGSA-UHFFFAOYSA-N
MW280.37 g/mol
LogP-0.36
Rot. Bonds5

About N-(2-cyanocyclopentyl)-2-methylsulfonylethanesulfonamide

N-(2-cyanocyclopentyl)-2-methylsulfonylethanesulfonamide (PubChem CID 55174082) has the molecular formula C9H16N2O4S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(2-cyanocyclopentyl)-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanocyclopentyl)-2-methylsulfonylethanesulfonamide
PubChem CID55174082
Molecular FormulaC9H16N2O4S2
Molecular Weight280.37 g/mol
Exact Mass280.06
IUPAC NameN-(2-cyanocyclopentyl)-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)NC1CCCC1C#N
InChIInChI=1S/C9H16N2O4S2/c1-16(12,13)5-6-17(14,15)11-9-4-2-3-8(9)7-10/h8-9,11H,2-6H2,1H3
InChIKeyUQSIMTIUGCBGSA-UHFFFAOYSA-N
XLogP-0.36
TPSA104.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanocyclopentyl)-1,1-dioxothiane-4-sulfonamide
CID 55151785
N-[cyano(cyclohexyl)methyl]-2-methylsulfonylethanesulfonamide
CID 55173888
N-[2-(aminomethyl)cyclopentyl]-2-methylsulfonylethanesulfonamide
CID 55174271
2-(2-Methylsulfonylethylamino)cyclopentane-1-carbonitrile
CID 62741506
2-(3-Methylsulfonylpropylamino)cyclopentane-1-carbonitrile
CID 62741512
N-(2-cyanocyclopentyl)propane-2-sulfonamide
CID 62962169
N-(2-cyanocyclopentyl)cyclohexanesulfonamide
CID 62962900
N-(2-cyanocyclopentyl)-2-methoxyethanesulfonamide
CID 62963082
N-(2-cyanocyclopentyl)-1-cyclohexylmethanesulfonamide
CID 62963084
N-(2-cyanocyclopentyl)propane-1-sulfonamide
CID 62963443
N-(2-cyanocyclopentyl)butane-1-sulfonamide
CID 62963445
N-(2-cyanocyclopentyl)ethanesulfonamide
CID 62963446

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanocyclopentyl)-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-(2-cyanocyclopentyl)-2-methylsulfonylethanesulfonamide (CID 55174082) is N-(2-cyanocyclopentyl)-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-(2-cyanocyclopentyl)-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-(2-cyanocyclopentyl)-2-methylsulfonylethanesulfonamide is CS(=O)(=O)CCS(=O)(=O)NC1CCCC1C#N.
What is the InChIKey of N-(2-cyanocyclopentyl)-2-methylsulfonylethanesulfonamide?
The InChIKey is UQSIMTIUGCBGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S2/c1-16(12,13)5-6-17(14,15)11-9-4-2-3-8(9)7-10/h8-9,11H,2-6H2,1H3.
What are the key properties of N-(2-cyanocyclopentyl)-2-methylsulfonylethanesulfonamide?
N-(2-cyanocyclopentyl)-2-methylsulfonylethanesulfonamide has a molecular weight of 280.37 g/mol, XLogP of -0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopentyl)-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 55174082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).