N-hex-5-ynyl-2-methyl-1-propylimidazole-4-sulfonamide

C13H21N3O2S — CID 106210109

IUPACN-hex-5-ynyl-2-methyl-1-propylimidazole-4-sulfonamide
SMILESC#CCCCCNS(=O)(=O)c1cn(CCC)c(C)n1
InChIInChI=1S/C13H21N3O2S/c1-4-6-7-8-9-14-19(17,18)13-11-16(10-5-2)12(3)15-13/h1,11,14H,5-10H2,2-3H3
InChIKeyKMUHGHUJCQPWHU-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.68
Rot. Bonds8

About N-hex-5-ynyl-2-methyl-1-propylimidazole-4-sulfonamide

N-hex-5-ynyl-2-methyl-1-propylimidazole-4-sulfonamide (PubChem CID 106210109) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-hex-5-ynyl-2-methyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-hex-5-ynyl-2-methyl-1-propylimidazole-4-sulfonamide
PubChem CID106210109
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-hex-5-ynyl-2-methyl-1-propylimidazole-4-sulfonamide
SMILESC#CCCCCNS(=O)(=O)c1cn(CCC)c(C)n1
InChIInChI=1S/C13H21N3O2S/c1-4-6-7-8-9-14-19(17,18)13-11-16(10-5-2)12(3)15-13/h1,11,14H,5-10H2,2-3H3
InChIKeyKMUHGHUJCQPWHU-UHFFFAOYSA-N
XLogP1.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62064291
N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62065157
2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide
CID 64592125
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 65231693
2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylimidazole-4-sulfonamide
CID 114466971
N-(3-amino-2,2-dimethylpropyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 115365923
N-(2-amino-2-cyclopropylethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 63765092
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 115456592
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 114758603
1-but-3-ynyl-2-methylimidazole-4-sulfonyl chloride
CID 82913820
N-(5-hydroxy-2,2-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 106143878
N-(4-bromo-2-methylbutyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 114295175

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-2-methyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N-hex-5-ynyl-2-methyl-1-propylimidazole-4-sulfonamide (CID 106210109) is N-hex-5-ynyl-2-methyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-hex-5-ynyl-2-methyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N-hex-5-ynyl-2-methyl-1-propylimidazole-4-sulfonamide is C#CCCCCNS(=O)(=O)c1cn(CCC)c(C)n1.
What is the InChIKey of N-hex-5-ynyl-2-methyl-1-propylimidazole-4-sulfonamide?
The InChIKey is KMUHGHUJCQPWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-4-6-7-8-9-14-19(17,18)13-11-16(10-5-2)12(3)15-13/h1,11,14H,5-10H2,2-3H3.
What are the key properties of N-hex-5-ynyl-2-methyl-1-propylimidazole-4-sulfonamide?
N-hex-5-ynyl-2-methyl-1-propylimidazole-4-sulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-2-methyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 106210109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).