N,N-dimethyl-4-(4-oxocyclohexen-1-yl)imidazole-1-sulfonamide

C11H15N3O3S — CID 59900691

IUPACN,N-dimethyl-4-(4-oxocyclohexen-1-yl)imidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cnc(C2=CCC(=O)CC2)c1
InChIInChI=1S/C11H15N3O3S/c1-13(2)18(16,17)14-7-11(12-8-14)9-3-5-10(15)6-4-9/h3,7-8H,4-6H2,1-2H3
InChIKeyNNSCQECUOMQAPJ-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.67
Rot. Bonds3

About N,N-dimethyl-4-(4-oxocyclohexen-1-yl)imidazole-1-sulfonamide

N,N-dimethyl-4-(4-oxocyclohexen-1-yl)imidazole-1-sulfonamide (PubChem CID 59900691) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-oxocyclohexen-1-yl)imidazole-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-oxocyclohexen-1-yl)imidazole-1-sulfonamide
PubChem CID59900691
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC NameN,N-dimethyl-4-(4-oxocyclohexen-1-yl)imidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cnc(C2=CCC(=O)CC2)c1
InChIInChI=1S/C11H15N3O3S/c1-13(2)18(16,17)14-7-11(12-8-14)9-3-5-10(15)6-4-9/h3,7-8H,4-6H2,1-2H3
InChIKeyNNSCQECUOMQAPJ-UHFFFAOYSA-N
XLogP0.67
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-oxocyclohexen-1-yl)imidazole-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-(4-oxocyclohexen-1-yl)imidazole-1-sulfonamide (CID 59900691) is N,N-dimethyl-4-(4-oxocyclohexen-1-yl)imidazole-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(4-oxocyclohexen-1-yl)imidazole-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-(4-oxocyclohexen-1-yl)imidazole-1-sulfonamide is CN(C)S(=O)(=O)n1cnc(C2=CCC(=O)CC2)c1.
What is the InChIKey of N,N-dimethyl-4-(4-oxocyclohexen-1-yl)imidazole-1-sulfonamide?
The InChIKey is NNSCQECUOMQAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-13(2)18(16,17)14-7-11(12-8-14)9-3-5-10(15)6-4-9/h3,7-8H,4-6H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(4-oxocyclohexen-1-yl)imidazole-1-sulfonamide?
N,N-dimethyl-4-(4-oxocyclohexen-1-yl)imidazole-1-sulfonamide has a molecular weight of 269.33 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-oxocyclohexen-1-yl)imidazole-1-sulfonamide is sourced from PubChem (CID 59900691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).