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

C11H21N3O4S — CID 103887499

IUPAC1-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(CCO)COC)nc1C
InChIInChI=1S/C11H21N3O4S/c1-4-14-7-11(12-9(14)2)19(16,17)13-10(5-6-15)8-18-3/h7,10,13,15H,4-6,8H2,1-3H3
InChIKeyZYVCYJJAQXEFIK-UHFFFAOYSA-N
MW291.37 g/mol
LogP-0.11
Rot. Bonds8

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

1-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylimidazole-4-sulfonamide (PubChem CID 103887499) has the molecular formula C11H21N3O4S and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylimidazole-4-sulfonamide
PubChem CID103887499
Molecular FormulaC11H21N3O4S
Molecular Weight291.37 g/mol
Exact Mass291.13
IUPAC Name1-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(CCO)COC)nc1C
InChIInChI=1S/C11H21N3O4S/c1-4-14-7-11(12-9(14)2)19(16,17)13-10(5-6-15)8-18-3/h7,10,13,15H,4-6,8H2,1-3H3
InChIKeyZYVCYJJAQXEFIK-UHFFFAOYSA-N
XLogP-0.11
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylimidazole-4-sulfonamide
CID 62064468
methyl 2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-hydroxypropanoate
CID 62065532
N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 113346258
N-(4-bromobutan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 83179208
N-(1-chloropropan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 65030909
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 107848291
N-[(2R)-1-aminopropan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 104873356
N-[(2S)-1-hydroxybutan-2-yl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 104981934
1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide
CID 83030926
N-but-3-yn-2-yl-1-ethyl-2-methylimidazole-4-sulfonamide
CID 114419083
1-ethyl-N-(3-hydroxypentyl)-2-methylimidazole-4-sulfonamide
CID 115875750
1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylimidazole-4-sulfonamide
CID 106169930

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylimidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylimidazole-4-sulfonamide (CID 103887499) is 1-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylimidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC(CCO)COC)nc1C.
What is the InChIKey of 1-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylimidazole-4-sulfonamide?
The InChIKey is ZYVCYJJAQXEFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4S/c1-4-14-7-11(12-9(14)2)19(16,17)13-10(5-6-15)8-18-3/h7,10,13,15H,4-6,8H2,1-3H3.
What are the key properties of 1-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylimidazole-4-sulfonamide?
1-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylimidazole-4-sulfonamide has a molecular weight of 291.37 g/mol, XLogP of -0.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 103887499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).