5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-pyrazole-4-sulfonamide

C11H18N4O2S — CID 63689393

IUPAC5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCC1CC2CCC1C2
InChIInChI=1S/C11H18N4O2S/c12-11-10(6-13-15-11)18(16,17)14-5-9-4-7-1-2-8(9)3-7/h6-9,14H,1-5H2,(H3,12,13,15)
InChIKeyBRRRVYUIMDDUSH-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.71
Rot. Bonds4

About 5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-pyrazole-4-sulfonamide

5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 63689393) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-pyrazole-4-sulfonamide
PubChem CID63689393
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCC1CC2CCC1C2
InChIInChI=1S/C11H18N4O2S/c12-11-10(6-13-15-11)18(16,17)14-5-9-4-7-1-2-8(9)3-7/h6-9,14H,1-5H2,(H3,12,13,15)
InChIKeyBRRRVYUIMDDUSH-UHFFFAOYSA-N
XLogP0.71
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 80584899
5-amino-N-(oxan-4-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 63725060
5-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 61126567
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-hydrazinylpyridine-3-sulfonamide
CID 63683555
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 63684841
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)ethanesulfonamide
CID 63681923
5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluorobenzenesulfonamide
CID 106064052
N-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 51027081
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106064066
N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 124779535
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chlorobenzenesulfonamide
CID 63686492
5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide
CID 61168845

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-pyrazole-4-sulfonamide (CID 63689393) is 5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)NCC1CC2CCC1C2.
What is the InChIKey of 5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is BRRRVYUIMDDUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c12-11-10(6-13-15-11)18(16,17)14-5-9-4-7-1-2-8(9)3-7/h6-9,14H,1-5H2,(H3,12,13,15).
What are the key properties of 5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 270.36 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 63689393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).