N-butyl-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide

C10H19N3O3S — CID 62375463

IUPACN-butyl-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C10H19N3O3S/c1-3-4-5-13(6-7-14)17(15,16)10-8-12(2)9-11-10/h8-9,14H,3-7H2,1-2H3
InChIKeyREFQUIUKUXNXGR-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.20
Rot. Bonds7

About N-butyl-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide

N-butyl-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide (PubChem CID 62375463) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide
PubChem CID62375463
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC NameN-butyl-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C10H19N3O3S/c1-3-4-5-13(6-7-14)17(15,16)10-8-12(2)9-11-10/h8-9,14H,3-7H2,1-2H3
InChIKeyREFQUIUKUXNXGR-UHFFFAOYSA-N
XLogP0.20
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide (CID 62375463) is N-butyl-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide is CCCCN(CCO)S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is REFQUIUKUXNXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-3-4-5-13(6-7-14)17(15,16)10-8-12(2)9-11-10/h8-9,14H,3-7H2,1-2H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide?
N-butyl-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 261.35 g/mol, XLogP of 0.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 62375463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).