(3R,4R)-1-ethylsulfonyl-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]pyrrolidin-3-ol

C16H19N3O3S — CID 129282505

IUPAC(3R,4R)-1-ethylsulfonyl-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]pyrrolidin-3-ol
SMILESCCS(=O)(=O)N1C[C@H]([C@H]2c3ccccc3-c3cncn32)[C@@H](O)C1
InChIInChI=1S/C16H19N3O3S/c1-2-23(21,22)18-8-13(15(20)9-18)16-12-6-4-3-5-11(12)14-7-17-10-19(14)16/h3-7,10,13,15-16,20H,2,8-9H2,1H3/t13-,15-,16+/m0/s1
InChIKeyOSCCKBPAGFULBD-CWRNSKLLSA-N
MW333.41 g/mol
LogP1.10
Rot. Bonds3

About (3R,4R)-1-ethylsulfonyl-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]pyrrolidin-3-ol

(3R,4R)-1-ethylsulfonyl-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]pyrrolidin-3-ol (PubChem CID 129282505) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is (3R,4R)-1-ethylsulfonyl-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-ethylsulfonyl-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]pyrrolidin-3-ol
PubChem CID129282505
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name(3R,4R)-1-ethylsulfonyl-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]pyrrolidin-3-ol
SMILESCCS(=O)(=O)N1C[C@H]([C@H]2c3ccccc3-c3cncn32)[C@@H](O)C1
InChIInChI=1S/C16H19N3O3S/c1-2-23(21,22)18-8-13(15(20)9-18)16-12-6-4-3-5-11(12)14-7-17-10-19(14)16/h3-7,10,13,15-16,20H,2,8-9H2,1H3/t13-,15-,16+/m0/s1
InChIKeyOSCCKBPAGFULBD-CWRNSKLLSA-N
XLogP1.10
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-1-ethylsulfonyl-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]pyrrolidin-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-ethylsulfonyl-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-ethylsulfonyl-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]pyrrolidin-3-ol (CID 129282505) is (3R,4R)-1-ethylsulfonyl-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-ethylsulfonyl-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-ethylsulfonyl-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]pyrrolidin-3-ol is CCS(=O)(=O)N1C[C@H]([C@H]2c3ccccc3-c3cncn32)[C@@H](O)C1.
What is the InChIKey of (3R,4R)-1-ethylsulfonyl-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]pyrrolidin-3-ol?
The InChIKey is OSCCKBPAGFULBD-CWRNSKLLSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-2-23(21,22)18-8-13(15(20)9-18)16-12-6-4-3-5-11(12)14-7-17-10-19(14)16/h3-7,10,13,15-16,20H,2,8-9H2,1H3/t13-,15-,16+/m0/s1.
What are the key properties of (3R,4R)-1-ethylsulfonyl-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]pyrrolidin-3-ol?
(3R,4R)-1-ethylsulfonyl-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]pyrrolidin-3-ol has a molecular weight of 333.41 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-ethylsulfonyl-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 129282505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).