N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-4-sulfonamide

C10H17N3O3S — CID 113336491

IUPACN-(2,2-dimethyloxan-4-yl)-1H-pyrazole-4-sulfonamide
SMILESCC1(C)CC(NS(=O)(=O)c2cn[nH]c2)CCO1
InChIInChI=1S/C10H17N3O3S/c1-10(2)5-8(3-4-16-10)13-17(14,15)9-6-11-12-7-9/h6-8,13H,3-5H2,1-2H3,(H,11,12)
InChIKeyMLEAHXBOTDILLI-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.65
Rot. Bonds3

About N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-4-sulfonamide

N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 113336491) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-1H-pyrazole-4-sulfonamide
PubChem CID113336491
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC NameN-(2,2-dimethyloxan-4-yl)-1H-pyrazole-4-sulfonamide
SMILESCC1(C)CC(NS(=O)(=O)c2cn[nH]c2)CCO1
InChIInChI=1S/C10H17N3O3S/c1-10(2)5-8(3-4-16-10)13-17(14,15)9-6-11-12-7-9/h6-8,13H,3-5H2,1-2H3,(H,11,12)
InChIKeyMLEAHXBOTDILLI-UHFFFAOYSA-N
XLogP0.65
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-4-sulfonamide (CID 113336491) is N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-4-sulfonamide is CC1(C)CC(NS(=O)(=O)c2cn[nH]c2)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is MLEAHXBOTDILLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-10(2)5-8(3-4-16-10)13-17(14,15)9-6-11-12-7-9/h6-8,13H,3-5H2,1-2H3,(H,11,12).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-4-sulfonamide?
N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 113336491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).