3-amino-N-cyclooctyl-1-ethylpyrazole-4-sulfonamide

C13H24N4O2S — CID 60808927

IUPAC3-amino-N-cyclooctyl-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCCCCCC2)c(N)n1
InChIInChI=1S/C13H24N4O2S/c1-2-17-10-12(13(14)15-17)20(18,19)16-11-8-6-4-3-5-7-9-11/h10-11,16H,2-9H2,1H3,(H2,14,15)
InChIKeyRSOYLLQXVSTPJI-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.88
Rot. Bonds4

About 3-amino-N-cyclooctyl-1-ethylpyrazole-4-sulfonamide

3-amino-N-cyclooctyl-1-ethylpyrazole-4-sulfonamide (PubChem CID 60808927) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 3-amino-N-cyclooctyl-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-cyclooctyl-1-ethylpyrazole-4-sulfonamide
PubChem CID60808927
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name3-amino-N-cyclooctyl-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCCCCCC2)c(N)n1
InChIInChI=1S/C13H24N4O2S/c1-2-17-10-12(13(14)15-17)20(18,19)16-11-8-6-4-3-5-7-9-11/h10-11,16H,2-9H2,1H3,(H2,14,15)
InChIKeyRSOYLLQXVSTPJI-UHFFFAOYSA-N
XLogP1.88
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-cyclopentyl-1-propylpyrazole-4-sulfonamide
CID 54922795
N-cycloheptyl-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 19581844
3-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-4-sulfonamide
CID 64656103
3-amino-N-(2,2-dimethylcyclopentyl)-1-ethylpyrazole-4-sulfonamide
CID 79861218
3-amino-1-ethyl-N-[2-(hydroxymethyl)cyclopentyl]pyrazole-4-sulfonamide
CID 106358780
3-amino-1-ethyl-N-(2-methoxycyclopentyl)pyrazole-4-sulfonamide
CID 62087291
3-amino-N-(1-ethylpiperidin-3-yl)-1-propylpyrazole-4-sulfonamide
CID 61170162
N-cyclopropyl-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 19681075
3-amino-1-ethyl-N-piperidin-1-ylpyrazole-4-sulfonamide
CID 83012354
3-amino-N-cyclopentyl-1-ethyl-N-methylpyrazole-4-sulfonamide
CID 60808791
3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide
CID 61168847
3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethylpyrazole-4-sulfonamide
CID 63315016

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclooctyl-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-cyclooctyl-1-ethylpyrazole-4-sulfonamide (CID 60808927) is 3-amino-N-cyclooctyl-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-cyclooctyl-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-cyclooctyl-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC2CCCCCCC2)c(N)n1.
What is the InChIKey of 3-amino-N-cyclooctyl-1-ethylpyrazole-4-sulfonamide?
The InChIKey is RSOYLLQXVSTPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-2-17-10-12(13(14)15-17)20(18,19)16-11-8-6-4-3-5-7-9-11/h10-11,16H,2-9H2,1H3,(H2,14,15).
What are the key properties of 3-amino-N-cyclooctyl-1-ethylpyrazole-4-sulfonamide?
3-amino-N-cyclooctyl-1-ethylpyrazole-4-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclooctyl-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 60808927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).