[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate

C15H17ClO4S — CID 97212535

IUPAC[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate
SMILESO=C(C[C@@H]1CCS(=O)(=O)C1)O[C@H]1CCc2c(Cl)cccc21
InChIInChI=1S/C15H17ClO4S/c16-13-3-1-2-12-11(13)4-5-14(12)20-15(17)8-10-6-7-21(18,19)9-10/h1-3,10,14H,4-9H2/t10-,14-/m0/s1
InChIKeyFDDLXQKRCDDHME-HZMBPMFUSA-N
MW328.82 g/mol
LogP2.70
Rot. Bonds3

About [(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate

[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate (PubChem CID 97212535) has the molecular formula C15H17ClO4S and a molecular weight of 328.82 g/mol. Its IUPAC name is [(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate.

Molecular Properties

Compound Name[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate
PubChem CID97212535
Molecular FormulaC15H17ClO4S
Molecular Weight328.82 g/mol
Exact Mass328.05
IUPAC Name[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate
SMILESO=C(C[C@@H]1CCS(=O)(=O)C1)O[C@H]1CCc2c(Cl)cccc21
InChIInChI=1S/C15H17ClO4S/c16-13-3-1-2-12-11(13)4-5-14(12)20-15(17)8-10-6-7-21(18,19)9-10/h1-3,10,14H,4-9H2/t10-,14-/m0/s1
InChIKeyFDDLXQKRCDDHME-HZMBPMFUSA-N
XLogP2.70
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate 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

phenyl 2-[(3S)-1,1-dioxothiolan-3-yl]acetate
CID 7092052
(2,4-dichlorophenyl) 2-(1,1-dioxothiolan-3-yl)acetate
CID 4668174
(2-methylphenyl) 2-(1,1-dioxothiolan-3-yl)acetate
CID 5069545
N'-(2,3-dichlorophenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide
CID 8842075
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 8865973
thiophen-2-ylmethyl 2-[(3S)-1,1-dioxothiolan-3-yl]acetate
CID 95586548
N'-(2-chlorophenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide
CID 8842103
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate
CID 8735418
[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] 2-[(3S)-1,1-dioxothiolan-3-yl]acetate
CID 51868528
1-(2,5-dichlorophenyl)-3-(1,1-dioxothiolan-3-yl)propan-2-one
CID 105102489
2-amino-6-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 63659868
(2,6-dichlorophenyl) 1,1-dioxothiolane-3-carboxylate
CID 86909284

Frequently Asked Questions

What is the IUPAC name of [(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate?
The IUPAC name of [(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate (CID 97212535) is [(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate.
What is the SMILES notation for [(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate?
The canonical SMILES for [(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate is O=C(C[C@@H]1CCS(=O)(=O)C1)O[C@H]1CCc2c(Cl)cccc21.
What is the InChIKey of [(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate?
The InChIKey is FDDLXQKRCDDHME-HZMBPMFUSA-N. The full InChI is InChI=1S/C15H17ClO4S/c16-13-3-1-2-12-11(13)4-5-14(12)20-15(17)8-10-6-7-21(18,19)9-10/h1-3,10,14H,4-9H2/t10-,14-/m0/s1.
What are the key properties of [(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate?
[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate has a molecular weight of 328.82 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate is sourced from PubChem (CID 97212535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).