N,2-diethyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide

C12H23N3O2S — CID 79470009

IUPACN,2-diethyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)N(CC)CC(C)CC)[nH]1
InChIInChI=1S/C12H23N3O2S/c1-5-10(4)9-15(7-3)18(16,17)12-8-13-11(6-2)14-12/h8,10H,5-7,9H2,1-4H3,(H,13,14)
InChIKeyLMYPGSHCBYIOCM-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.03
Rot. Bonds7

About N,2-diethyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide

N,2-diethyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide (PubChem CID 79470009) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is N,2-diethyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN,2-diethyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide
PubChem CID79470009
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC NameN,2-diethyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)N(CC)CC(C)CC)[nH]1
InChIInChI=1S/C12H23N3O2S/c1-5-10(4)9-15(7-3)18(16,17)12-8-13-11(6-2)14-12/h8,10H,5-7,9H2,1-4H3,(H,13,14)
InChIKeyLMYPGSHCBYIOCM-UHFFFAOYSA-N
XLogP2.03
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N,2-diethyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide (CID 79470009) is N,2-diethyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N,2-diethyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N,2-diethyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)N(CC)CC(C)CC)[nH]1.
What is the InChIKey of N,2-diethyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide?
The InChIKey is LMYPGSHCBYIOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-5-10(4)9-15(7-3)18(16,17)12-8-13-11(6-2)14-12/h8,10H,5-7,9H2,1-4H3,(H,13,14).
What are the key properties of N,2-diethyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide?
N,2-diethyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide has a molecular weight of 273.40 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 79470009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).