methyl 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methylpyrrolidine-3-carboxylate

C10H15BrN4O4S — CID 103354633

IUPACmethyl 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CN(S(=O)(=O)c2c(Br)nnn2C)CC1C
InChIInChI=1S/C10H15BrN4O4S/c1-6-4-15(5-7(6)10(16)19-3)20(17,18)9-8(11)12-13-14(9)2/h6-7H,4-5H2,1-3H3
InChIKeyDESZTGNEQUCOAB-UHFFFAOYSA-N
MW367.23 g/mol
LogP0.01
Rot. Bonds3

About methyl 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methylpyrrolidine-3-carboxylate

methyl 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methylpyrrolidine-3-carboxylate (PubChem CID 103354633) has the molecular formula C10H15BrN4O4S and a molecular weight of 367.23 g/mol. Its IUPAC name is methyl 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methylpyrrolidine-3-carboxylate
PubChem CID103354633
Molecular FormulaC10H15BrN4O4S
Molecular Weight367.23 g/mol
Exact Mass366.00
IUPAC Namemethyl 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CN(S(=O)(=O)c2c(Br)nnn2C)CC1C
InChIInChI=1S/C10H15BrN4O4S/c1-6-4-15(5-7(6)10(16)19-3)20(17,18)9-8(11)12-13-14(9)2/h6-7H,4-5H2,1-3H3
InChIKeyDESZTGNEQUCOAB-UHFFFAOYSA-N
XLogP0.01
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methylpyrrolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidine-3-carboxylate
CID 103354558
1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine
CID 103354637
methyl N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]carbamate
CID 103354671
N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]acetamide
CID 106468175
methyl 4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxylate
CID 103847983
ethyl (3S)-1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidine-3-carboxylate
CID 106467205
methyl 1-(3-hydroxyphenyl)sulfonyl-4-methylpyrrolidine-3-carboxylate
CID 81259237
3-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 106467109
2-(5-bromo-3-methyltriazol-4-yl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 106467149
1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidine-3-carbothioamide
CID 106466551
1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742367
N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine
CID 106466705

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methylpyrrolidine-3-carboxylate (CID 103354633) is methyl 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methylpyrrolidine-3-carboxylate is COC(=O)C1CN(S(=O)(=O)c2c(Br)nnn2C)CC1C.
What is the InChIKey of methyl 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methylpyrrolidine-3-carboxylate?
The InChIKey is DESZTGNEQUCOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O4S/c1-6-4-15(5-7(6)10(16)19-3)20(17,18)9-8(11)12-13-14(9)2/h6-7H,4-5H2,1-3H3.
What are the key properties of methyl 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methylpyrrolidine-3-carboxylate?
methyl 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methylpyrrolidine-3-carboxylate has a molecular weight of 367.23 g/mol, XLogP of 0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 103354633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).