5-[(2S,4R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole

C16H20N4O3S — CID 128975121

IUPAC5-[(2S,4R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole
SMILESCO[C@@H]1C[C@@H](c2ncn[nH]2)N(S(=O)(=O)c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C16H20N4O3S/c1-23-13-8-15(16-17-10-18-19-16)20(9-13)24(21,22)14-6-5-11-3-2-4-12(11)7-14/h5-7,10,13,15H,2-4,8-9H2,1H3,(H,17,18,19)/t13-,15+/m1/s1
InChIKeyUWYZIZJEOUYGKP-HIFRSBDPSA-N
MW348.43 g/mol
LogP1.44
Rot. Bonds4

About 5-[(2S,4R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole

5-[(2S,4R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole (PubChem CID 128975121) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 5-[(2S,4R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[(2S,4R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole
PubChem CID128975121
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name5-[(2S,4R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole
SMILESCO[C@@H]1C[C@@H](c2ncn[nH]2)N(S(=O)(=O)c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C16H20N4O3S/c1-23-13-8-15(16-17-10-18-19-16)20(9-13)24(21,22)14-6-5-11-3-2-4-12(11)7-14/h5-7,10,13,15H,2-4,8-9H2,1H3,(H,17,18,19)/t13-,15+/m1/s1
InChIKeyUWYZIZJEOUYGKP-HIFRSBDPSA-N
XLogP1.44
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(2S,4R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-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

5-[(2S,4R)-4-methoxy-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-1H-1,2,4-triazole
CID 128975087
5-[(2S,4R)-1-[(3-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole
CID 128975092
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypiperidin-2-yl]methanamine
CID 120718968
2-[3-(methoxymethyl)phenyl]-1-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanone
CID 128985320
3-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine
CID 128975749
N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 39854348
2-(2,3-dihydroindol-1-yl)-1-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanone
CID 128985139
(3-chloro-2-methylphenyl)-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 128985182
2-(methoxymethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
CID 110869990
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(4-methoxyphenyl)pyrrolidine
CID 134017312
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
CID 7531218
5-[(2S,4R)-4-methoxy-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]-1H-1,2,4-triazole
CID 128982701

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,4R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole?
The IUPAC name of 5-[(2S,4R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole (CID 128975121) is 5-[(2S,4R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[(2S,4R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[(2S,4R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole is CO[C@@H]1C[C@@H](c2ncn[nH]2)N(S(=O)(=O)c2ccc3c(c2)CCC3)C1.
What is the InChIKey of 5-[(2S,4R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole?
The InChIKey is UWYZIZJEOUYGKP-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-23-13-8-15(16-17-10-18-19-16)20(9-13)24(21,22)14-6-5-11-3-2-4-12(11)7-14/h5-7,10,13,15H,2-4,8-9H2,1H3,(H,17,18,19)/t13-,15+/m1/s1.
What are the key properties of 5-[(2S,4R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole?
5-[(2S,4R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole has a molecular weight of 348.43 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,4R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole is sourced from PubChem (CID 128975121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).