5-bromo-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide

C9H16BrN5O2S — CID 106467162

IUPAC5-bromo-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide
SMILESCn1nnc(Br)c1S(=O)(=O)NCC[C@H]1CCCN1
InChIInChI=1S/C9H16BrN5O2S/c1-15-9(8(10)13-14-15)18(16,17)12-6-4-7-3-2-5-11-7/h7,11-12H,2-6H2,1H3/t7-/m1/s1
InChIKeyHBJRSYQMEVBRMO-SSDOTTSWSA-N
MW338.23 g/mol
LogP-0.00
Rot. Bonds5

About 5-bromo-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide

5-bromo-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide (PubChem CID 106467162) has the molecular formula C9H16BrN5O2S and a molecular weight of 338.23 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide
PubChem CID106467162
Molecular FormulaC9H16BrN5O2S
Molecular Weight338.23 g/mol
Exact Mass337.02
IUPAC Name5-bromo-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide
SMILESCn1nnc(Br)c1S(=O)(=O)NCC[C@H]1CCCN1
InChIInChI=1S/C9H16BrN5O2S/c1-15-9(8(10)13-14-15)18(16,17)12-6-4-7-3-2-5-11-7/h7,11-12H,2-6H2,1H3/t7-/m1/s1
InChIKeyHBJRSYQMEVBRMO-SSDOTTSWSA-N
XLogP-0.00
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-5-sulfonamide
CID 106315491
3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide;hydrochloride
CID 120876392
5-bromo-3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]triazole-4-sulfonamide
CID 106467584
5-bromo-N-(cyclopropylmethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)triazole-4-sulfonamide
CID 106608681
5-bromo-N-(2-ethylsulfonylethyl)-3-methyltriazole-4-sulfonamide
CID 103354565
1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-sulfonamide
CID 114794170
5-bromo-3-methyl-N-[3-(methylamino)propyl]triazole-4-sulfonamide
CID 106466972
5-bromo-N-butyl-3-methyl-N-(pyrrolidin-2-ylmethyl)triazole-4-sulfonamide
CID 106609031
5-bromo-N-(4-chlorobutyl)-3-methyltriazole-4-sulfonamide
CID 106846483
5-bromo-N-but-3-enyl-3-methyltriazole-4-sulfonamide
CID 106466294
1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-3-sulfonamide
CID 104972646
2,5-dibromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzenesulfonamide
CID 114794097

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide?
The IUPAC name of 5-bromo-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide (CID 106467162) is 5-bromo-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide?
The canonical SMILES for 5-bromo-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide is Cn1nnc(Br)c1S(=O)(=O)NCC[C@H]1CCCN1.
What is the InChIKey of 5-bromo-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide?
The InChIKey is HBJRSYQMEVBRMO-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16BrN5O2S/c1-15-9(8(10)13-14-15)18(16,17)12-6-4-7-3-2-5-11-7/h7,11-12H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of 5-bromo-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide?
5-bromo-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide has a molecular weight of 338.23 g/mol, XLogP of -0.00, 5 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-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide is sourced from PubChem (CID 106467162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).