N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide

C11H19N3O2S — CID 64591191

IUPACN-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCCC2)nc1C
InChIInChI=1S/C11H19N3O2S/c1-3-14-8-11(12-9(14)2)17(15,16)13-10-6-4-5-7-10/h8,10,13H,3-7H2,1-2H3
InChIKeyCXFPIRYRXOOECU-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.43
Rot. Bonds4

About N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide

N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide (PubChem CID 64591191) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide
PubChem CID64591191
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCCC2)nc1C
InChIInChI=1S/C11H19N3O2S/c1-3-14-8-11(12-9(14)2)17(15,16)13-10-6-4-5-7-10/h8,10,13H,3-7H2,1-2H3
InChIKeyCXFPIRYRXOOECU-UHFFFAOYSA-N
XLogP1.43
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide?
The IUPAC name of N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide (CID 64591191) is N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide?
The canonical SMILES for N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC2CCCC2)nc1C.
What is the InChIKey of N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide?
The InChIKey is CXFPIRYRXOOECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-3-14-8-11(12-9(14)2)17(15,16)13-10-6-4-5-7-10/h8,10,13H,3-7H2,1-2H3.
What are the key properties of N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide?
N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 64591191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).