4-cyclopropyl-1-[(3R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]triazole

C17H22N4O2S — CID 124892518

IUPAC4-cyclopropyl-1-[(3R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]triazole
SMILESCc1ccc(C)c(S(=O)(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)c1
InChIInChI=1S/C17H22N4O2S/c1-12-3-4-13(2)17(9-12)24(22,23)20-8-7-15(10-20)21-11-16(18-19-21)14-5-6-14/h3-4,9,11,14-15H,5-8,10H2,1-2H3/t15-/m1/s1
InChIKeyRTFWEVDELQACLZ-OAHLLOKOSA-N
MW346.46 g/mol
LogP2.41
Rot. Bonds4

About 4-cyclopropyl-1-[(3R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]triazole

4-cyclopropyl-1-[(3R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]triazole (PubChem CID 124892518) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 4-cyclopropyl-1-[(3R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]triazole.

Molecular Properties

Compound Name4-cyclopropyl-1-[(3R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]triazole
PubChem CID124892518
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name4-cyclopropyl-1-[(3R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]triazole
SMILESCc1ccc(C)c(S(=O)(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)c1
InChIInChI=1S/C17H22N4O2S/c1-12-3-4-13(2)17(9-12)24(22,23)20-8-7-15(10-20)21-11-16(18-19-21)14-5-6-14/h3-4,9,11,14-15H,5-8,10H2,1-2H3/t15-/m1/s1
InChIKeyRTFWEVDELQACLZ-OAHLLOKOSA-N
XLogP2.41
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-cyclopropyl-1-[(3R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]triazole 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

4-cyclopropyl-1-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]triazole
CID 124725171
1-[1-(2-bromophenyl)sulfonylpyrrolidin-3-yl]-4-cyclopropyltriazole
CID 121021160
4-cyclopropyl-1-[1-[(4-methylphenyl)methylsulfonyl]pyrrolidin-3-yl]triazole
CID 121190836
4-cyclopropyl-1-(1-ethylsulfonylpyrrolidin-3-yl)triazole
CID 121190734
4-cyclopropyl-1-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 121190765
1-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]-4-cyclopropyltriazole
CID 121021159
4-cyclopropyl-1-[1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidin-3-yl]triazole
CID 121190809
4-[4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole
CID 121021163
1-(2,5-dimethylphenyl)sulfonyl-4-pyrazol-1-ylpiperidine
CID 110871203
1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methylbenzotriazole
CID 1469697
3-(2-bromoethyl)-1-(2,5-dimethylphenyl)sulfonylpyrrolidine
CID 114801823
(3S,4R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidine-3,4-diol
CID 71683265

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-[(3R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]triazole?
The IUPAC name of 4-cyclopropyl-1-[(3R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]triazole (CID 124892518) is 4-cyclopropyl-1-[(3R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]triazole.
What is the SMILES notation for 4-cyclopropyl-1-[(3R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]triazole?
The canonical SMILES for 4-cyclopropyl-1-[(3R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]triazole is Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)c1.
What is the InChIKey of 4-cyclopropyl-1-[(3R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]triazole?
The InChIKey is RTFWEVDELQACLZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-12-3-4-13(2)17(9-12)24(22,23)20-8-7-15(10-20)21-11-16(18-19-21)14-5-6-14/h3-4,9,11,14-15H,5-8,10H2,1-2H3/t15-/m1/s1.
What are the key properties of 4-cyclopropyl-1-[(3R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]triazole?
4-cyclopropyl-1-[(3R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]triazole has a molecular weight of 346.46 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-[(3R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]triazole is sourced from PubChem (CID 124892518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).