1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylimidazole-4-sulfonamide

C12H23N3O3S — CID 62064468

IUPAC1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(CO)CC(C)C)nc1C
InChIInChI=1S/C12H23N3O3S/c1-5-15-7-12(13-10(15)4)19(17,18)14-11(8-16)6-9(2)3/h7,9,11,14,16H,5-6,8H2,1-4H3
InChIKeyQRVLMBJTONDUOI-UHFFFAOYSA-N
MW289.40 g/mol
LogP0.90
Rot. Bonds7

About 1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylimidazole-4-sulfonamide

1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylimidazole-4-sulfonamide (PubChem CID 62064468) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylimidazole-4-sulfonamide
PubChem CID62064468
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC Name1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(CO)CC(C)C)nc1C
InChIInChI=1S/C12H23N3O3S/c1-5-15-7-12(13-10(15)4)19(17,18)14-11(8-16)6-9(2)3/h7,9,11,14,16H,5-6,8H2,1-4H3
InChIKeyQRVLMBJTONDUOI-UHFFFAOYSA-N
XLogP0.90
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylimidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylimidazole-4-sulfonamide (CID 62064468) is 1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylimidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC(CO)CC(C)C)nc1C.
What is the InChIKey of 1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylimidazole-4-sulfonamide?
The InChIKey is QRVLMBJTONDUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-5-15-7-12(13-10(15)4)19(17,18)14-11(8-16)6-9(2)3/h7,9,11,14,16H,5-6,8H2,1-4H3.
What are the key properties of 1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylimidazole-4-sulfonamide?
1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylimidazole-4-sulfonamide has a molecular weight of 289.40 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 62064468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).