3-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-4-sulfonamide

C11H19N5O3S — CID 64656103

IUPAC3-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCC(=O)N(C)C2)c(N)n1
InChIInChI=1S/C11H19N5O3S/c1-3-16-7-9(11(12)13-16)20(18,19)14-8-4-5-10(17)15(2)6-8/h7-8,14H,3-6H2,1-2H3,(H2,12,13)
InChIKeyWVGXJKUGVMQYFT-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.62
Rot. Bonds4

About 3-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-4-sulfonamide

3-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-4-sulfonamide (PubChem CID 64656103) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-4-sulfonamide
PubChem CID64656103
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC Name3-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCC(=O)N(C)C2)c(N)n1
InChIInChI=1S/C11H19N5O3S/c1-3-16-7-9(11(12)13-16)20(18,19)14-8-4-5-10(17)15(2)6-8/h7-8,14H,3-6H2,1-2H3,(H2,12,13)
InChIKeyWVGXJKUGVMQYFT-UHFFFAOYSA-N
XLogP-0.62
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-cyclooctyl-1-ethylpyrazole-4-sulfonamide
CID 60808927
3-amino-N-(1-methylpyrrolidin-3-yl)-1-propylpyrazole-4-sulfonamide
CID 61462052
3-amino-N-cyclopentyl-1-propylpyrazole-4-sulfonamide
CID 54922795
3-amino-N-(1-ethylpiperidin-3-yl)-1-propylpyrazole-4-sulfonamide
CID 61170162
3-amino-1-ethyl-N-(2-methoxycyclopentyl)pyrazole-4-sulfonamide
CID 62087291
4-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-3-carboxamide
CID 65363091
5-amino-2-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 64654475
2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyrimidine-5-sulfonamide
CID 64669851
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
2-amino-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide
CID 64669398
3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide
CID 61168847

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-4-sulfonamide (CID 64656103) is 3-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC2CCC(=O)N(C)C2)c(N)n1.
What is the InChIKey of 3-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-4-sulfonamide?
The InChIKey is WVGXJKUGVMQYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-3-16-7-9(11(12)13-16)20(18,19)14-8-4-5-10(17)15(2)6-8/h7-8,14H,3-6H2,1-2H3,(H2,12,13).
What are the key properties of 3-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-4-sulfonamide?
3-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-4-sulfonamide has a molecular weight of 301.37 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 64656103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).