1-ethyl-N-[2-(2-hydroxyethyl)cyclopentyl]-2-methylimidazole-4-sulfonamide

C13H23N3O3S — CID 136533396

IUPAC1-ethyl-N-[2-(2-hydroxyethyl)cyclopentyl]-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCCC2CCO)nc1C
InChIInChI=1S/C13H23N3O3S/c1-3-16-9-13(14-10(16)2)20(18,19)15-12-6-4-5-11(12)7-8-17/h9,11-12,15,17H,3-8H2,1-2H3
InChIKeyXVUAPZHKBKWTLH-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.04
Rot. Bonds6

About 1-ethyl-N-[2-(2-hydroxyethyl)cyclopentyl]-2-methylimidazole-4-sulfonamide

1-ethyl-N-[2-(2-hydroxyethyl)cyclopentyl]-2-methylimidazole-4-sulfonamide (PubChem CID 136533396) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-ethyl-N-[2-(2-hydroxyethyl)cyclopentyl]-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(2-hydroxyethyl)cyclopentyl]-2-methylimidazole-4-sulfonamide
PubChem CID136533396
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name1-ethyl-N-[2-(2-hydroxyethyl)cyclopentyl]-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCCC2CCO)nc1C
InChIInChI=1S/C13H23N3O3S/c1-3-16-9-13(14-10(16)2)20(18,19)15-12-6-4-5-11(12)7-8-17/h9,11-12,15,17H,3-8H2,1-2H3
InChIKeyXVUAPZHKBKWTLH-UHFFFAOYSA-N
XLogP1.04
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(2-hydroxyethyl)cyclopentyl]-2-methylimidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[2-(2-hydroxyethyl)cyclopentyl]-2-methylimidazole-4-sulfonamide (CID 136533396) is 1-ethyl-N-[2-(2-hydroxyethyl)cyclopentyl]-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[2-(2-hydroxyethyl)cyclopentyl]-2-methylimidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[2-(2-hydroxyethyl)cyclopentyl]-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC2CCCC2CCO)nc1C.
What is the InChIKey of 1-ethyl-N-[2-(2-hydroxyethyl)cyclopentyl]-2-methylimidazole-4-sulfonamide?
The InChIKey is XVUAPZHKBKWTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-3-16-9-13(14-10(16)2)20(18,19)15-12-6-4-5-11(12)7-8-17/h9,11-12,15,17H,3-8H2,1-2H3.
What are the key properties of 1-ethyl-N-[2-(2-hydroxyethyl)cyclopentyl]-2-methylimidazole-4-sulfonamide?
1-ethyl-N-[2-(2-hydroxyethyl)cyclopentyl]-2-methylimidazole-4-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(2-hydroxyethyl)cyclopentyl]-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 136533396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).