5-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)imidazole-4-sulfonamide

C11H20N4O3S — CID 63980414

IUPAC5-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)imidazole-4-sulfonamide
SMILESCCN(CC1CCOC1)S(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C11H20N4O3S/c1-3-15(6-9-4-5-18-7-9)19(16,17)11-10(12)13-8-14(11)2/h8-9H,3-7,12H2,1-2H3
InChIKeyABJHOJVDSHHDMI-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.05
Rot. Bonds5

About 5-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)imidazole-4-sulfonamide

5-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)imidazole-4-sulfonamide (PubChem CID 63980414) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)imidazole-4-sulfonamide
PubChem CID63980414
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name5-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)imidazole-4-sulfonamide
SMILESCCN(CC1CCOC1)S(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C11H20N4O3S/c1-3-15(6-9-4-5-18-7-9)19(16,17)11-10(12)13-8-14(11)2/h8-9H,3-7,12H2,1-2H3
InChIKeyABJHOJVDSHHDMI-UHFFFAOYSA-N
XLogP0.05
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)imidazole-4-sulfonamide?
The IUPAC name of 5-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)imidazole-4-sulfonamide (CID 63980414) is 5-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)imidazole-4-sulfonamide is CCN(CC1CCOC1)S(=O)(=O)c1c(N)ncn1C.
What is the InChIKey of 5-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)imidazole-4-sulfonamide?
The InChIKey is ABJHOJVDSHHDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-3-15(6-9-4-5-18-7-9)19(16,17)11-10(12)13-8-14(11)2/h8-9H,3-7,12H2,1-2H3.
What are the key properties of 5-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)imidazole-4-sulfonamide?
5-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)imidazole-4-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 63980414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).