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

C9H16N4O3S — CID 63725060

IUPAC5-amino-N-(oxan-4-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCC1CCOCC1
InChIInChI=1S/C9H16N4O3S/c10-9-8(6-11-13-9)17(14,15)12-5-7-1-3-16-4-2-7/h6-7,12H,1-5H2,(H3,10,11,13)
InChIKeyKRDZLTZOAAYEOM-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.30
Rot. Bonds4

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

5-amino-N-(oxan-4-ylmethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 63725060) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 5-amino-N-(oxan-4-ylmethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(oxan-4-ylmethyl)-1H-pyrazole-4-sulfonamide
PubChem CID63725060
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name5-amino-N-(oxan-4-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCC1CCOCC1
InChIInChI=1S/C9H16N4O3S/c10-9-8(6-11-13-9)17(14,15)12-5-7-1-3-16-4-2-7/h6-7,12H,1-5H2,(H3,10,11,13)
InChIKeyKRDZLTZOAAYEOM-UHFFFAOYSA-N
XLogP-0.30
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 61126567
5-amino-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 80584899
5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-pyrazole-4-sulfonamide
CID 63689393
4-amino-2-chloro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63726955
5-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 60912088
5-(oxolan-3-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 54931892
6-amino-5-chloro-N-(oxan-4-ylmethyl)pyridine-3-sulfonamide
CID 64602485
5-amino-2-fluoro-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 80645574
5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide
CID 61168845
4-amino-2,6-dichloro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63726263
5-amino-N-cyclopentyl-1H-pyrazole-4-sulfonamide
CID 60814197
2-amino-4-nitro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63706934

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(oxan-4-ylmethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(oxan-4-ylmethyl)-1H-pyrazole-4-sulfonamide (CID 63725060) is 5-amino-N-(oxan-4-ylmethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(oxan-4-ylmethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(oxan-4-ylmethyl)-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)NCC1CCOCC1.
What is the InChIKey of 5-amino-N-(oxan-4-ylmethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is KRDZLTZOAAYEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c10-9-8(6-11-13-9)17(14,15)12-5-7-1-3-16-4-2-7/h6-7,12H,1-5H2,(H3,10,11,13).
What are the key properties of 5-amino-N-(oxan-4-ylmethyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(oxan-4-ylmethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 260.32 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(oxan-4-ylmethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 63725060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).