5-methyl-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide

C9H15N3O3S — CID 63361565

IUPAC5-methyl-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1CCCOC1
InChIInChI=1S/C9H15N3O3S/c1-7-9(5-10-11-7)16(13,14)12-8-3-2-4-15-6-8/h5,8,12H,2-4,6H2,1H3,(H,10,11)
InChIKeyWWAFLBYPARRZAC-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.18
Rot. Bonds3

About 5-methyl-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide

5-methyl-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 63361565) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 5-methyl-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide
PubChem CID63361565
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name5-methyl-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1CCCOC1
InChIInChI=1S/C9H15N3O3S/c1-7-9(5-10-11-7)16(13,14)12-8-3-2-4-15-6-8/h5,8,12H,2-4,6H2,1H3,(H,10,11)
InChIKeyWWAFLBYPARRZAC-UHFFFAOYSA-N
XLogP0.18
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide
CID 60910848
N-cyclooctyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930247
N-cyclopent-3-en-1-yl-5-methyl-1H-pyrazole-4-sulfonamide
CID 115695681
2-amino-4,5-dimethyl-N-(oxan-3-yl)benzenesulfonamide
CID 63360464
N-(2,2-dimethyloxan-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 115563568
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
CID 61275605
5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
CID 61248171
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 66212908
N-(2-bromocyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114297377
N-(2-tert-butylcyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61248754
2-(methylamino)-N-(oxan-3-yl)pyridine-3-sulfonamide
CID 63361997
4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid
CID 66241459

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide (CID 63361565) is 5-methyl-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NC1CCCOC1.
What is the InChIKey of 5-methyl-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is WWAFLBYPARRZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-7-9(5-10-11-7)16(13,14)12-8-3-2-4-15-6-8/h5,8,12H,2-4,6H2,1H3,(H,10,11).
What are the key properties of 5-methyl-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide?
5-methyl-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 245.30 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 63361565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).