1-ethyl-N,N-bis(2-hydroxyethyl)-2-methylimidazole-4-sulfonamide

C10H19N3O4S — CID 55030676

IUPAC1-ethyl-N,N-bis(2-hydroxyethyl)-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(CCO)CCO)nc1C
InChIInChI=1S/C10H19N3O4S/c1-3-12-8-10(11-9(12)2)18(16,17)13(4-6-14)5-7-15/h8,14-15H,3-7H2,1-2H3
InChIKeyITQVFVGLMLMGAZ-UHFFFAOYSA-N
MW277.35 g/mol
LogP-0.81
Rot. Bonds7

About 1-ethyl-N,N-bis(2-hydroxyethyl)-2-methylimidazole-4-sulfonamide

1-ethyl-N,N-bis(2-hydroxyethyl)-2-methylimidazole-4-sulfonamide (PubChem CID 55030676) has the molecular formula C10H19N3O4S and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-ethyl-N,N-bis(2-hydroxyethyl)-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N,N-bis(2-hydroxyethyl)-2-methylimidazole-4-sulfonamide
PubChem CID55030676
Molecular FormulaC10H19N3O4S
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC Name1-ethyl-N,N-bis(2-hydroxyethyl)-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(CCO)CCO)nc1C
InChIInChI=1S/C10H19N3O4S/c1-3-12-8-10(11-9(12)2)18(16,17)13(4-6-14)5-7-15/h8,14-15H,3-7H2,1-2H3
InChIKeyITQVFVGLMLMGAZ-UHFFFAOYSA-N
XLogP-0.81
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N,N-bis(2-hydroxyethyl)-2-methylimidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N,N-bis(2-hydroxyethyl)-2-methylimidazole-4-sulfonamide (CID 55030676) is 1-ethyl-N,N-bis(2-hydroxyethyl)-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N,N-bis(2-hydroxyethyl)-2-methylimidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N,N-bis(2-hydroxyethyl)-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)N(CCO)CCO)nc1C.
What is the InChIKey of 1-ethyl-N,N-bis(2-hydroxyethyl)-2-methylimidazole-4-sulfonamide?
The InChIKey is ITQVFVGLMLMGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4S/c1-3-12-8-10(11-9(12)2)18(16,17)13(4-6-14)5-7-15/h8,14-15H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-N,N-bis(2-hydroxyethyl)-2-methylimidazole-4-sulfonamide?
1-ethyl-N,N-bis(2-hydroxyethyl)-2-methylimidazole-4-sulfonamide has a molecular weight of 277.35 g/mol, XLogP of -0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N,N-bis(2-hydroxyethyl)-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 55030676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).