5-bromo-3-methyl-N-(6-oxopiperidin-3-yl)triazole-4-sulfonamide

C8H12BrN5O3S — CID 106466931

IUPAC5-bromo-3-methyl-N-(6-oxopiperidin-3-yl)triazole-4-sulfonamide
SMILESCn1nnc(Br)c1S(=O)(=O)NC1CCC(=O)NC1
InChIInChI=1S/C8H12BrN5O3S/c1-14-8(7(9)11-13-14)18(16,17)12-5-2-3-6(15)10-4-5/h5,12H,2-4H2,1H3,(H,10,15)
InChIKeyGJIDJARCTJQNCY-UHFFFAOYSA-N
MW338.19 g/mol
LogP-0.87
Rot. Bonds3

About 5-bromo-3-methyl-N-(6-oxopiperidin-3-yl)triazole-4-sulfonamide

5-bromo-3-methyl-N-(6-oxopiperidin-3-yl)triazole-4-sulfonamide (PubChem CID 106466931) has the molecular formula C8H12BrN5O3S and a molecular weight of 338.19 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-(6-oxopiperidin-3-yl)triazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-3-methyl-N-(6-oxopiperidin-3-yl)triazole-4-sulfonamide
PubChem CID106466931
Molecular FormulaC8H12BrN5O3S
Molecular Weight338.19 g/mol
Exact Mass336.98
IUPAC Name5-bromo-3-methyl-N-(6-oxopiperidin-3-yl)triazole-4-sulfonamide
SMILESCn1nnc(Br)c1S(=O)(=O)NC1CCC(=O)NC1
InChIInChI=1S/C8H12BrN5O3S/c1-14-8(7(9)11-13-14)18(16,17)12-5-2-3-6(15)10-4-5/h5,12H,2-4H2,1H3,(H,10,15)
InChIKeyGJIDJARCTJQNCY-UHFFFAOYSA-N
XLogP-0.87
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-3-methyl-N-[(3S)-pyrrolidin-3-yl]triazole-4-sulfonamide
CID 106467102
5-bromo-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-sulfonamide
CID 106467603
4-bromo-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 62490790
5-bromo-N-(2-chlorocycloheptyl)-3-methyltriazole-4-sulfonamide
CID 106468468
5-bromo-N-[2-(bromomethyl)cyclopentyl]-3-methyltriazole-4-sulfonamide
CID 106367508
5-bromo-N-[2-(hydroxymethyl)cyclopentyl]-3-methyltriazole-4-sulfonamide
CID 106898543
5-bromo-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methyltriazole-4-sulfonamide
CID 99796874
N-(6-oxopiperidin-3-yl)azepane-1-sulfonamide
CID 55244528
5-bromo-N-cyclopentyloxy-3-methyltriazole-4-sulfonamide
CID 106466282
6-amino-N-(6-oxopiperidin-3-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63662684
4-(bromomethyl)-1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidine
CID 106468404
5-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methyltriazole-4-sulfonamide
CID 106467586

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-(6-oxopiperidin-3-yl)triazole-4-sulfonamide?
The IUPAC name of 5-bromo-3-methyl-N-(6-oxopiperidin-3-yl)triazole-4-sulfonamide (CID 106466931) is 5-bromo-3-methyl-N-(6-oxopiperidin-3-yl)triazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-3-methyl-N-(6-oxopiperidin-3-yl)triazole-4-sulfonamide?
The canonical SMILES for 5-bromo-3-methyl-N-(6-oxopiperidin-3-yl)triazole-4-sulfonamide is Cn1nnc(Br)c1S(=O)(=O)NC1CCC(=O)NC1.
What is the InChIKey of 5-bromo-3-methyl-N-(6-oxopiperidin-3-yl)triazole-4-sulfonamide?
The InChIKey is GJIDJARCTJQNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN5O3S/c1-14-8(7(9)11-13-14)18(16,17)12-5-2-3-6(15)10-4-5/h5,12H,2-4H2,1H3,(H,10,15).
What are the key properties of 5-bromo-3-methyl-N-(6-oxopiperidin-3-yl)triazole-4-sulfonamide?
5-bromo-3-methyl-N-(6-oxopiperidin-3-yl)triazole-4-sulfonamide has a molecular weight of 338.19 g/mol, XLogP of -0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-(6-oxopiperidin-3-yl)triazole-4-sulfonamide is sourced from PubChem (CID 106466931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).