[(2R)-2-(imidazol-1-ylsulfonylamino)-4-methoxy-4-oxobutyl]-trimethylazanium

C11H21N4O4S+ — CID 68743871

IUPAC[(2R)-2-(imidazol-1-ylsulfonylamino)-4-methoxy-4-oxobutyl]-trimethylazanium
SMILESCOC(=O)C[C@H](C[N+](C)(C)C)NS(=O)(=O)n1ccnc1
InChIInChI=1S/C11H21N4O4S/c1-15(2,3)8-10(7-11(16)19-4)13-20(17,18)14-6-5-12-9-14/h5-6,9-10,13H,7-8H2,1-4H3/q+1/t10-/m1/s1
InChIKeyYOFFWVHEWFEXPA-SNVBAGLBSA-N
MW305.38 g/mol
LogP-0.80
Rot. Bonds7

About [(2R)-2-(imidazol-1-ylsulfonylamino)-4-methoxy-4-oxobutyl]-trimethylazanium

[(2R)-2-(imidazol-1-ylsulfonylamino)-4-methoxy-4-oxobutyl]-trimethylazanium (PubChem CID 68743871) has the molecular formula C11H21N4O4S+ and a molecular weight of 305.38 g/mol. Its IUPAC name is [(2R)-2-(imidazol-1-ylsulfonylamino)-4-methoxy-4-oxobutyl]-trimethylazanium.

Molecular Properties

Compound Name[(2R)-2-(imidazol-1-ylsulfonylamino)-4-methoxy-4-oxobutyl]-trimethylazanium
PubChem CID68743871
Molecular FormulaC11H21N4O4S+
Molecular Weight305.38 g/mol
Exact Mass305.13
IUPAC Name[(2R)-2-(imidazol-1-ylsulfonylamino)-4-methoxy-4-oxobutyl]-trimethylazanium
SMILESCOC(=O)C[C@H](C[N+](C)(C)C)NS(=O)(=O)n1ccnc1
InChIInChI=1S/C11H21N4O4S/c1-15(2,3)8-10(7-11(16)19-4)13-20(17,18)14-6-5-12-9-14/h5-6,9-10,13H,7-8H2,1-4H3/q+1/t10-/m1/s1
InChIKeyYOFFWVHEWFEXPA-SNVBAGLBSA-N
XLogP-0.80
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [(2R)-2-(imidazol-1-ylsulfonylamino)-4-methoxy-4-oxobutyl]-trimethylazanium with MolForge

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Related Compounds

[4-methoxy-2-[(3-methylimidazol-3-ium-1-yl)sulfonylamino]-4-oxobutyl]-trimethylazanium
CID 87728048
dimethyl 2-imidazol-1-ylbutanedioate
CID 10081893
[(2R)-2-benzamido-4-methoxy-4-oxobutyl]-trimethylazanium chloride
CID 70361695
N-tert-butylimidazole-1-sulfonamide
CID 174183105
methyl 3-(2-imidazol-1-ylethylsulfanyl)butanoate
CID 66114397
1-butan-2-ylimidazole;methyl hydrogen carbonate
CID 174740697
sodium;hydride;imidazole-1-sulfonic acid
CID 174835950
[(2S)-3-carboxy-2-(undecylsulfonylamino)propyl]-trimethylazanium
CID 10992497
azane;1-(4-methylphenyl)sulfonylimidazole
CID 174813676
methyl 4-(1-imidazol-1-ylpropan-2-ylamino)butanoate
CID 61479528
dimethyl 3,7-diamino-5-oxononanedioate
CID 57305042
bis(3-imidazol-1-ylsulfonylphenyl)methanone
CID 11812262

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(imidazol-1-ylsulfonylamino)-4-methoxy-4-oxobutyl]-trimethylazanium?
The IUPAC name of [(2R)-2-(imidazol-1-ylsulfonylamino)-4-methoxy-4-oxobutyl]-trimethylazanium (CID 68743871) is [(2R)-2-(imidazol-1-ylsulfonylamino)-4-methoxy-4-oxobutyl]-trimethylazanium.
What is the SMILES notation for [(2R)-2-(imidazol-1-ylsulfonylamino)-4-methoxy-4-oxobutyl]-trimethylazanium?
The canonical SMILES for [(2R)-2-(imidazol-1-ylsulfonylamino)-4-methoxy-4-oxobutyl]-trimethylazanium is COC(=O)C[C@H](C[N+](C)(C)C)NS(=O)(=O)n1ccnc1.
What is the InChIKey of [(2R)-2-(imidazol-1-ylsulfonylamino)-4-methoxy-4-oxobutyl]-trimethylazanium?
The InChIKey is YOFFWVHEWFEXPA-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21N4O4S/c1-15(2,3)8-10(7-11(16)19-4)13-20(17,18)14-6-5-12-9-14/h5-6,9-10,13H,7-8H2,1-4H3/q+1/t10-/m1/s1.
What are the key properties of [(2R)-2-(imidazol-1-ylsulfonylamino)-4-methoxy-4-oxobutyl]-trimethylazanium?
[(2R)-2-(imidazol-1-ylsulfonylamino)-4-methoxy-4-oxobutyl]-trimethylazanium has a molecular weight of 305.38 g/mol, XLogP of -0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(imidazol-1-ylsulfonylamino)-4-methoxy-4-oxobutyl]-trimethylazanium is sourced from PubChem (CID 68743871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).