5-bromo-N-ethyl-3-methyl-N-piperidin-4-yltriazole-4-sulfonamide

C10H18BrN5O2S — CID 106466981

IUPAC5-bromo-N-ethyl-3-methyl-N-piperidin-4-yltriazole-4-sulfonamide
SMILESCCN(C1CCNCC1)S(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C10H18BrN5O2S/c1-3-16(8-4-6-12-7-5-8)19(17,18)10-9(11)13-14-15(10)2/h8,12H,3-7H2,1-2H3
InChIKeyPIOWXKXMGZZCNO-UHFFFAOYSA-N
MW352.26 g/mol
LogP0.34
Rot. Bonds4

About 5-bromo-N-ethyl-3-methyl-N-piperidin-4-yltriazole-4-sulfonamide

5-bromo-N-ethyl-3-methyl-N-piperidin-4-yltriazole-4-sulfonamide (PubChem CID 106466981) has the molecular formula C10H18BrN5O2S and a molecular weight of 352.26 g/mol. Its IUPAC name is 5-bromo-N-ethyl-3-methyl-N-piperidin-4-yltriazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-3-methyl-N-piperidin-4-yltriazole-4-sulfonamide
PubChem CID106466981
Molecular FormulaC10H18BrN5O2S
Molecular Weight352.26 g/mol
Exact Mass351.04
IUPAC Name5-bromo-N-ethyl-3-methyl-N-piperidin-4-yltriazole-4-sulfonamide
SMILESCCN(C1CCNCC1)S(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C10H18BrN5O2S/c1-3-16(8-4-6-12-7-5-8)19(17,18)10-9(11)13-14-15(10)2/h8,12H,3-7H2,1-2H3
InChIKeyPIOWXKXMGZZCNO-UHFFFAOYSA-N
XLogP0.34
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N,3-dimethyl-N-piperidin-4-yltriazole-4-sulfonamide
CID 106466979
5-bromo-N-cyclopropyl-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide
CID 106467721
5-bromo-N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)triazole-4-sulfonamide
CID 106467532
N-(azetidin-3-yl)-5-bromo-N,3-dimethyltriazole-4-sulfonamide
CID 106467081
5-bromo-N-(1-ethylpiperidin-4-yl)-N,3-dimethyltriazole-4-sulfonamide
CID 106467618
5-bromo-3-methyl-N-(piperidin-3-ylmethyl)-N-propyltriazole-4-sulfonamide
CID 106631322
5-bromo-3-methyl-N-[(3S)-pyrrolidin-3-yl]triazole-4-sulfonamide
CID 106467102
N-ethyl-1-methyl-N-piperidin-4-ylpyrrole-3-sulfonamide
CID 60806594
5-bromo-N-butyl-3-methyl-N-(pyrrolidin-2-ylmethyl)triazole-4-sulfonamide
CID 106609031
5-bromo-N-(cyclopropylmethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)triazole-4-sulfonamide
CID 106608681
5-bromo-N-ethyl-N-(2-ethylbutyl)-3-methyltriazole-4-sulfonamide
CID 106467629
N-ethyl-3,5-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 60805252

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-3-methyl-N-piperidin-4-yltriazole-4-sulfonamide?
The IUPAC name of 5-bromo-N-ethyl-3-methyl-N-piperidin-4-yltriazole-4-sulfonamide (CID 106466981) is 5-bromo-N-ethyl-3-methyl-N-piperidin-4-yltriazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N-ethyl-3-methyl-N-piperidin-4-yltriazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N-ethyl-3-methyl-N-piperidin-4-yltriazole-4-sulfonamide is CCN(C1CCNCC1)S(=O)(=O)c1c(Br)nnn1C.
What is the InChIKey of 5-bromo-N-ethyl-3-methyl-N-piperidin-4-yltriazole-4-sulfonamide?
The InChIKey is PIOWXKXMGZZCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN5O2S/c1-3-16(8-4-6-12-7-5-8)19(17,18)10-9(11)13-14-15(10)2/h8,12H,3-7H2,1-2H3.
What are the key properties of 5-bromo-N-ethyl-3-methyl-N-piperidin-4-yltriazole-4-sulfonamide?
5-bromo-N-ethyl-3-methyl-N-piperidin-4-yltriazole-4-sulfonamide has a molecular weight of 352.26 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-3-methyl-N-piperidin-4-yltriazole-4-sulfonamide is sourced from PubChem (CID 106466981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).