5-bromo-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-sulfonamide

C12H22BrN5O2S — CID 106467603

IUPAC5-bromo-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-sulfonamide
SMILESCn1nnc(Br)c1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C12H22BrN5O2S/c1-11(2)6-8(7-12(3,4)16-11)15-21(19,20)10-9(13)14-17-18(10)5/h8,15-16H,6-7H2,1-5H3
InChIKeyKCHRFTKFFHQEEK-UHFFFAOYSA-N
MW380.31 g/mol
LogP1.17
Rot. Bonds3

About 5-bromo-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-sulfonamide

5-bromo-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-sulfonamide (PubChem CID 106467603) has the molecular formula C12H22BrN5O2S and a molecular weight of 380.31 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-sulfonamide
PubChem CID106467603
Molecular FormulaC12H22BrN5O2S
Molecular Weight380.31 g/mol
Exact Mass379.07
IUPAC Name5-bromo-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-sulfonamide
SMILESCn1nnc(Br)c1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C12H22BrN5O2S/c1-11(2)6-8(7-12(3,4)16-11)15-21(19,20)10-9(13)14-17-18(10)5/h8,15-16H,6-7H2,1-5H3
InChIKeyKCHRFTKFFHQEEK-UHFFFAOYSA-N
XLogP1.17
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.31
LogP ≤ 51.17
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-(6-oxopiperidin-3-yl)triazole-4-sulfonamide
CID 106466931
2,3,4,5,6-pentamethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 17443732
5-bromo-N-[2-(bromomethyl)cyclopentyl]-3-methyltriazole-4-sulfonamide
CID 106367508
5-bromo-N-(2-chlorocycloheptyl)-3-methyltriazole-4-sulfonamide
CID 106468468
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-(azetidin-3-yl)-5-bromo-N,3-dimethyltriazole-4-sulfonamide
CID 106467081
5-bromo-N-cyclopentyloxy-3-methyltriazole-4-sulfonamide
CID 106466282
5-bromo-N,3-dimethyl-N-piperidin-4-yltriazole-4-sulfonamide
CID 106466979
5-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methyltriazole-4-sulfonamide
CID 106467586
5-bromo-3-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]triazole-4-sulfonamide
CID 107270976

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-sulfonamide?
The IUPAC name of 5-bromo-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-sulfonamide (CID 106467603) is 5-bromo-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-sulfonamide?
The canonical SMILES for 5-bromo-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-sulfonamide is Cn1nnc(Br)c1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 5-bromo-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-sulfonamide?
The InChIKey is KCHRFTKFFHQEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrN5O2S/c1-11(2)6-8(7-12(3,4)16-11)15-21(19,20)10-9(13)14-17-18(10)5/h8,15-16H,6-7H2,1-5H3.
What are the key properties of 5-bromo-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-sulfonamide?
5-bromo-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-sulfonamide has a molecular weight of 380.31 g/mol, XLogP of 1.17, 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-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-sulfonamide is sourced from PubChem (CID 106467603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).