N-but-3-yn-2-yl-1-ethyl-2-methylimidazole-4-sulfonamide

C10H15N3O2S — CID 114419083

IUPACN-but-3-yn-2-yl-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESC#CC(C)NS(=O)(=O)c1cn(CC)c(C)n1
InChIInChI=1S/C10H15N3O2S/c1-5-8(3)12-16(14,15)10-7-13(6-2)9(4)11-10/h1,7-8,12H,6H2,2-4H3
InChIKeyBCNFXVCERYCASV-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.51
Rot. Bonds4

About N-but-3-yn-2-yl-1-ethyl-2-methylimidazole-4-sulfonamide

N-but-3-yn-2-yl-1-ethyl-2-methylimidazole-4-sulfonamide (PubChem CID 114419083) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-but-3-yn-2-yl-1-ethyl-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-1-ethyl-2-methylimidazole-4-sulfonamide
PubChem CID114419083
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC NameN-but-3-yn-2-yl-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESC#CC(C)NS(=O)(=O)c1cn(CC)c(C)n1
InChIInChI=1S/C10H15N3O2S/c1-5-8(3)12-16(14,15)10-7-13(6-2)9(4)11-10/h1,7-8,12H,6H2,2-4H3
InChIKeyBCNFXVCERYCASV-UHFFFAOYSA-N
XLogP0.51
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 104873356
N-(1-chloropropan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 65030909
N-(4-bromobutan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 83179208
1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide
CID 83030926
1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylimidazole-4-sulfonamide
CID 62064468
N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide
CID 64591191
1-ethyl-2-methyl-N-[2-(methylamino)ethyl]imidazole-4-sulfonamide
CID 62657789
N-(2-amino-3-hydroxybutyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 64539580
methyl 2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-hydroxypropanoate
CID 62065532
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 107848291
N-(3-aminocyclobutyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 62064635
2-ethyl-2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]butanoic acid
CID 79806387

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-1-ethyl-2-methylimidazole-4-sulfonamide?
The IUPAC name of N-but-3-yn-2-yl-1-ethyl-2-methylimidazole-4-sulfonamide (CID 114419083) is N-but-3-yn-2-yl-1-ethyl-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-but-3-yn-2-yl-1-ethyl-2-methylimidazole-4-sulfonamide?
The canonical SMILES for N-but-3-yn-2-yl-1-ethyl-2-methylimidazole-4-sulfonamide is C#CC(C)NS(=O)(=O)c1cn(CC)c(C)n1.
What is the InChIKey of N-but-3-yn-2-yl-1-ethyl-2-methylimidazole-4-sulfonamide?
The InChIKey is BCNFXVCERYCASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-5-8(3)12-16(14,15)10-7-13(6-2)9(4)11-10/h1,7-8,12H,6H2,2-4H3.
What are the key properties of N-but-3-yn-2-yl-1-ethyl-2-methylimidazole-4-sulfonamide?
N-but-3-yn-2-yl-1-ethyl-2-methylimidazole-4-sulfonamide has a molecular weight of 241.32 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-1-ethyl-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 114419083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).