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

C9H16N4O3S — CID 54921035

IUPAC5-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C9H16N4O3S/c1-13(7-2-4-16-5-3-7)17(14,15)8-6-11-12-9(8)10/h6-7H,2-5H2,1H3,(H3,10,11,12)
InChIKeyWMKZUDZNCBUZDW-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.21
Rot. Bonds3

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

5-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 54921035) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 5-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide
PubChem CID54921035
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name5-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C9H16N4O3S/c1-13(7-2-4-16-5-3-7)17(14,15)8-6-11-12-9(8)10/h6-7H,2-5H2,1H3,(H3,10,11,12)
InChIKeyWMKZUDZNCBUZDW-UHFFFAOYSA-N
XLogP-0.21
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide (CID 54921035) is 5-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide is CN(C1CCOCC1)S(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is WMKZUDZNCBUZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-13(7-2-4-16-5-3-7)17(14,15)8-6-11-12-9(8)10/h6-7H,2-5H2,1H3,(H3,10,11,12).
What are the key properties of 5-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide?
5-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 260.32 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54921035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).