1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]-4-phenyltriazole

C16H22N4O2S — CID 121150170

IUPAC1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]-4-phenyltriazole
SMILESCC(C)CS(=O)(=O)N1CCC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C16H22N4O2S/c1-13(2)12-23(21,22)19-9-8-15(10-19)20-11-16(17-18-20)14-6-4-3-5-7-14/h3-7,11,13,15H,8-10,12H2,1-2H3
InChIKeyYCFWSWWGWMKVPZ-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.18
Rot. Bonds5

About 1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]-4-phenyltriazole

1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]-4-phenyltriazole (PubChem CID 121150170) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]-4-phenyltriazole.

Molecular Properties

Compound Name1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]-4-phenyltriazole
PubChem CID121150170
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]-4-phenyltriazole
SMILESCC(C)CS(=O)(=O)N1CCC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C16H22N4O2S/c1-13(2)12-23(21,22)19-9-8-15(10-19)20-11-16(17-18-20)14-6-4-3-5-7-14/h3-7,11,13,15H,8-10,12H2,1-2H3
InChIKeyYCFWSWWGWMKVPZ-UHFFFAOYSA-N
XLogP2.18
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]-4-phenyltriazole 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

2-[4-[2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 53301359
4-[1-[(Z)-4-amino-2-fluorobut-2-enyl]triazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 155561434
4-[2-(4-Phenyltriazol-1-yl)ethyl]benzenesulfonamide
CID 71723309
4-Pyrrolidin-1-yl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide
CID 51359734
4-[4-[(3-Methylphenyl)methyl]piperazin-1-yl]-2-[[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide
CID 51360553
2-[4-[2-[(1-Benzyltriazol-4-yl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]ethanol
CID 53301371
2-[4-[1,1-dioxo-2-[[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 51360552
4-[4-[(2-Fluorophenyl)methyl]piperazin-1-yl]-2-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide
CID 53300525
2-[[1-[(3,5-Dimethylphenyl)methyl]triazol-4-yl]methyl]-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
CID 53300527
4-[4-[(2-Fluorophenyl)methyl]piperazin-1-yl]-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide
CID 53300528
2-[[1-[(3,5-Dimethylphenyl)methyl]triazol-4-yl]methyl]-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
CID 53300538
4-[4-[(3-Methylphenyl)methyl]piperazin-1-yl]-2-[[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide
CID 53300539

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]-4-phenyltriazole?
The IUPAC name of 1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]-4-phenyltriazole (CID 121150170) is 1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]-4-phenyltriazole.
What is the SMILES notation for 1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]-4-phenyltriazole?
The canonical SMILES for 1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]-4-phenyltriazole is CC(C)CS(=O)(=O)N1CCC(n2cc(-c3ccccc3)nn2)C1.
What is the InChIKey of 1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]-4-phenyltriazole?
The InChIKey is YCFWSWWGWMKVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-13(2)12-23(21,22)19-9-8-15(10-19)20-11-16(17-18-20)14-6-4-3-5-7-14/h3-7,11,13,15H,8-10,12H2,1-2H3.
What are the key properties of 1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]-4-phenyltriazole?
1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]-4-phenyltriazole has a molecular weight of 334.45 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]-4-phenyltriazole is sourced from PubChem (CID 121150170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).