1,2-dimethyl-N-(oxan-4-ylmethyl)imidazole-4-sulfonamide

C11H19N3O3S — CID 91914802

IUPAC1,2-dimethyl-N-(oxan-4-ylmethyl)imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NCC2CCOCC2)cn1C
InChIInChI=1S/C11H19N3O3S/c1-9-13-11(8-14(9)2)18(15,16)12-7-10-3-5-17-6-4-10/h8,10,12H,3-7H2,1-2H3
InChIKeyGQORKNLVNQLZCH-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.43
Rot. Bonds4

About 1,2-dimethyl-N-(oxan-4-ylmethyl)imidazole-4-sulfonamide

1,2-dimethyl-N-(oxan-4-ylmethyl)imidazole-4-sulfonamide (PubChem CID 91914802) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1,2-dimethyl-N-(oxan-4-ylmethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1,2-dimethyl-N-(oxan-4-ylmethyl)imidazole-4-sulfonamide
PubChem CID91914802
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name1,2-dimethyl-N-(oxan-4-ylmethyl)imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NCC2CCOCC2)cn1C
InChIInChI=1S/C11H19N3O3S/c1-9-13-11(8-14(9)2)18(15,16)12-7-10-3-5-17-6-4-10/h8,10,12H,3-7H2,1-2H3
InChIKeyGQORKNLVNQLZCH-UHFFFAOYSA-N
XLogP0.43
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-(oxan-4-ylmethyl)imidazole-4-sulfonamide?
The IUPAC name of 1,2-dimethyl-N-(oxan-4-ylmethyl)imidazole-4-sulfonamide (CID 91914802) is 1,2-dimethyl-N-(oxan-4-ylmethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1,2-dimethyl-N-(oxan-4-ylmethyl)imidazole-4-sulfonamide?
The canonical SMILES for 1,2-dimethyl-N-(oxan-4-ylmethyl)imidazole-4-sulfonamide is Cc1nc(S(=O)(=O)NCC2CCOCC2)cn1C.
What is the InChIKey of 1,2-dimethyl-N-(oxan-4-ylmethyl)imidazole-4-sulfonamide?
The InChIKey is GQORKNLVNQLZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-9-13-11(8-14(9)2)18(15,16)12-7-10-3-5-17-6-4-10/h8,10,12H,3-7H2,1-2H3.
What are the key properties of 1,2-dimethyl-N-(oxan-4-ylmethyl)imidazole-4-sulfonamide?
1,2-dimethyl-N-(oxan-4-ylmethyl)imidazole-4-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-(oxan-4-ylmethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 91914802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).