4-formyl-N,N-dimethyl-1,2-dihydroimidazole-3-sulfonamide

C6H11N3O3S — CID 90091957

IUPAC4-formyl-N,N-dimethyl-1,2-dihydroimidazole-3-sulfonamide
SMILESCN(C)S(=O)(=O)N1CNC=C1C=O
InChIInChI=1S/C6H11N3O3S/c1-8(2)13(11,12)9-5-7-3-6(9)4-10/h3-4,7H,5H2,1-2H3
InChIKeyHRKZKBPADDQWKO-UHFFFAOYSA-N
MW205.24 g/mol
LogP-1.30
Rot. Bonds3

About 4-formyl-N,N-dimethyl-1,2-dihydroimidazole-3-sulfonamide

4-formyl-N,N-dimethyl-1,2-dihydroimidazole-3-sulfonamide (PubChem CID 90091957) has the molecular formula C6H11N3O3S and a molecular weight of 205.24 g/mol. Its IUPAC name is 4-formyl-N,N-dimethyl-1,2-dihydroimidazole-3-sulfonamide.

Molecular Properties

Compound Name4-formyl-N,N-dimethyl-1,2-dihydroimidazole-3-sulfonamide
PubChem CID90091957
Molecular FormulaC6H11N3O3S
Molecular Weight205.24 g/mol
Exact Mass205.05
IUPAC Name4-formyl-N,N-dimethyl-1,2-dihydroimidazole-3-sulfonamide
SMILESCN(C)S(=O)(=O)N1CNC=C1C=O
InChIInChI=1S/C6H11N3O3S/c1-8(2)13(11,12)9-5-7-3-6(9)4-10/h3-4,7H,5H2,1-2H3
InChIKeyHRKZKBPADDQWKO-UHFFFAOYSA-N
XLogP-1.30
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-formyl-N,N-dimethyl-1,2-dihydroimidazole-3-sulfonamide?
The IUPAC name of 4-formyl-N,N-dimethyl-1,2-dihydroimidazole-3-sulfonamide (CID 90091957) is 4-formyl-N,N-dimethyl-1,2-dihydroimidazole-3-sulfonamide.
What is the SMILES notation for 4-formyl-N,N-dimethyl-1,2-dihydroimidazole-3-sulfonamide?
The canonical SMILES for 4-formyl-N,N-dimethyl-1,2-dihydroimidazole-3-sulfonamide is CN(C)S(=O)(=O)N1CNC=C1C=O.
What is the InChIKey of 4-formyl-N,N-dimethyl-1,2-dihydroimidazole-3-sulfonamide?
The InChIKey is HRKZKBPADDQWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3S/c1-8(2)13(11,12)9-5-7-3-6(9)4-10/h3-4,7H,5H2,1-2H3.
What are the key properties of 4-formyl-N,N-dimethyl-1,2-dihydroimidazole-3-sulfonamide?
4-formyl-N,N-dimethyl-1,2-dihydroimidazole-3-sulfonamide has a molecular weight of 205.24 g/mol, XLogP of -1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N,N-dimethyl-1,2-dihydroimidazole-3-sulfonamide is sourced from PubChem (CID 90091957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).