5-(3,6-dihydro-2H-pyran-4-yl)-N,N-dimethylimidazole-1-sulfonamide

C10H15N3O3S — CID 71144535

IUPAC5-(3,6-dihydro-2H-pyran-4-yl)-N,N-dimethylimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cncc1C1=CCOCC1
InChIInChI=1S/C10H15N3O3S/c1-12(2)17(14,15)13-8-11-7-10(13)9-3-5-16-6-4-9/h3,7-8H,4-6H2,1-2H3
InChIKeyWWJRUSWLJYXNTQ-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.34
Rot. Bonds3

About 5-(3,6-dihydro-2H-pyran-4-yl)-N,N-dimethylimidazole-1-sulfonamide

5-(3,6-dihydro-2H-pyran-4-yl)-N,N-dimethylimidazole-1-sulfonamide (PubChem CID 71144535) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 5-(3,6-dihydro-2H-pyran-4-yl)-N,N-dimethylimidazole-1-sulfonamide.

Molecular Properties

Compound Name5-(3,6-dihydro-2H-pyran-4-yl)-N,N-dimethylimidazole-1-sulfonamide
PubChem CID71144535
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name5-(3,6-dihydro-2H-pyran-4-yl)-N,N-dimethylimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cncc1C1=CCOCC1
InChIInChI=1S/C10H15N3O3S/c1-12(2)17(14,15)13-8-11-7-10(13)9-3-5-16-6-4-9/h3,7-8H,4-6H2,1-2H3
InChIKeyWWJRUSWLJYXNTQ-UHFFFAOYSA-N
XLogP0.34
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,6-dihydro-2H-pyran-4-yl)-N,N-dimethylimidazole-1-sulfonamide?
The IUPAC name of 5-(3,6-dihydro-2H-pyran-4-yl)-N,N-dimethylimidazole-1-sulfonamide (CID 71144535) is 5-(3,6-dihydro-2H-pyran-4-yl)-N,N-dimethylimidazole-1-sulfonamide.
What is the SMILES notation for 5-(3,6-dihydro-2H-pyran-4-yl)-N,N-dimethylimidazole-1-sulfonamide?
The canonical SMILES for 5-(3,6-dihydro-2H-pyran-4-yl)-N,N-dimethylimidazole-1-sulfonamide is CN(C)S(=O)(=O)n1cncc1C1=CCOCC1.
What is the InChIKey of 5-(3,6-dihydro-2H-pyran-4-yl)-N,N-dimethylimidazole-1-sulfonamide?
The InChIKey is WWJRUSWLJYXNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-12(2)17(14,15)13-8-11-7-10(13)9-3-5-16-6-4-9/h3,7-8H,4-6H2,1-2H3.
What are the key properties of 5-(3,6-dihydro-2H-pyran-4-yl)-N,N-dimethylimidazole-1-sulfonamide?
5-(3,6-dihydro-2H-pyran-4-yl)-N,N-dimethylimidazole-1-sulfonamide has a molecular weight of 257.31 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,6-dihydro-2H-pyran-4-yl)-N,N-dimethylimidazole-1-sulfonamide is sourced from PubChem (CID 71144535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).