N-(1-cyanocyclopentyl)-1,2-dimethylimidazole-4-sulfonamide

C11H16N4O2S — CID 62063500

IUPACN-(1-cyanocyclopentyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NC2(C#N)CCCC2)cn1C
InChIInChI=1S/C11H16N4O2S/c1-9-13-10(7-15(9)2)18(16,17)14-11(8-12)5-3-4-6-11/h7,14H,3-6H2,1-2H3
InChIKeyOPXWJSVFVYMLIK-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.84
Rot. Bonds3

About N-(1-cyanocyclopentyl)-1,2-dimethylimidazole-4-sulfonamide

N-(1-cyanocyclopentyl)-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 62063500) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-1,2-dimethylimidazole-4-sulfonamide
PubChem CID62063500
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC NameN-(1-cyanocyclopentyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NC2(C#N)CCCC2)cn1C
InChIInChI=1S/C11H16N4O2S/c1-9-13-10(7-15(9)2)18(16,17)14-11(8-12)5-3-4-6-11/h7,14H,3-6H2,1-2H3
InChIKeyOPXWJSVFVYMLIK-UHFFFAOYSA-N
XLogP0.84
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(1-cyanocyclopentyl)-1,2-dimethylimidazole-4-sulfonamide (CID 62063500) is N-(1-cyanocyclopentyl)-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)NC2(C#N)CCCC2)cn1C.
What is the InChIKey of N-(1-cyanocyclopentyl)-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is OPXWJSVFVYMLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-9-13-10(7-15(9)2)18(16,17)14-11(8-12)5-3-4-6-11/h7,14H,3-6H2,1-2H3.
What are the key properties of N-(1-cyanocyclopentyl)-1,2-dimethylimidazole-4-sulfonamide?
N-(1-cyanocyclopentyl)-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 268.34 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 62063500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).