2-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidine 1,1-dioxide

C22H26N2O3S — CID 58394079

IUPAC2-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1c1cccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)c1
InChIInChI=1S/C22H26N2O3S/c25-28(26)14-6-13-24(28)18-8-5-9-19(16-18)27-22-20-10-2-1-7-17(20)15-21(22)23-11-3-4-12-23/h1-2,5,7-10,16,21-22H,3-4,6,11-15H2/t21-,22-/m0/s1
InChIKeyFKLNBKWJFZYICD-VXKWHMMOSA-N
MW398.53 g/mol
LogP3.37
Rot. Bonds4

About 2-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidine 1,1-dioxide

2-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 58394079) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 2-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID58394079
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name2-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1c1cccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)c1
InChIInChI=1S/C22H26N2O3S/c25-28(26)14-6-13-24(28)18-8-5-9-19(16-18)27-22-20-10-2-1-7-17(20)15-21(22)23-11-3-4-12-23/h1-2,5,7-10,16,21-22H,3-4,6,11-15H2/t21-,22-/m0/s1
InChIKeyFKLNBKWJFZYICD-VXKWHMMOSA-N
XLogP3.37
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidine 1,1-dioxide 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

1-methyl-3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]imidazol-2-one
CID 58393517
3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one
CID 58393847
N-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide
CID 134136642
1-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidin-2-one
CID 58393580
1-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidine-2,5-dione
CID 58394053
N-[3-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]acetamide
CID 58393664
N-[3-[[2-[(3R)-3-methoxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide
CID 58393754
(3R)-1-[(1S,2S)-4,6-dichloro-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 58393849
N-[3-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide
CID 58393863
3-[[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]aniline
CID 58393873
N-[3-[[(1R,2R)-2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide
CID 58393908
(3aS,6aR)-5-[(1R,2R)-1-(3-piperidin-1-ylphenoxy)-2,3-dihydro-1H-inden-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 58394132

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidine 1,1-dioxide (CID 58394079) is 2-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1c1cccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)c1.
What is the InChIKey of 2-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is FKLNBKWJFZYICD-VXKWHMMOSA-N. The full InChI is InChI=1S/C22H26N2O3S/c25-28(26)14-6-13-24(28)18-8-5-9-19(16-18)27-22-20-10-2-1-7-17(20)15-21(22)23-11-3-4-12-23/h1-2,5,7-10,16,21-22H,3-4,6,11-15H2/t21-,22-/m0/s1.
What are the key properties of 2-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidine 1,1-dioxide?
2-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 398.53 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 58394079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).