methane;methyl (2S)-4-oxo-1-[3-(2-trimethylsilylethoxymethoxy)benzoyl]pyrrolidine-2-carboxylate;methyl 3-(2-trimethylsilylethoxymethoxy)benzoate;sulfanylidene-[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

C34H53NO10S24Si2 — CID 157123032

IUPACmethane;methyl (2S)-4-oxo-1-[3-(2-trimethylsilylethoxymethoxy)benzoyl]pyrrolidine-2-carboxylate;methyl 3-(2-trimethylsilylethoxymethoxy)benzoate;sulfanylidene-[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
SMILESC.COC(=O)[C@@H]1CC(=O)CN1C(=O)c1cccc(OCOCC[Si](C)(C)C)c1.COC(=O)c1cccc(OCOCC[Si](C)(C)C)c1.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S
InChIInChI=1S/C19H27NO6Si.C14H22O4Si.CH4.S24/c1-24-19(23)17-11-15(21)12-20(17)18(22)14-6-5-7-16(10-14)26-13-25-8-9-27(2,3)4;1-16-14(15)12-6-5-7-13(10-12)18-11-17-8-9-19(2,3)4;;1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h5-7,10,17H,8-9,11-13H2,1-4H3;5-7,10H,8-9,11H2,1-4H3;1H4;/t17-;;;/m0.../s1
InChIKeyAIERZIJFSVYHKC-FCQHKQNSSA-N
MW1461.57 g/mol
LogP6.08
Rot. Bonds15

About methane;methyl (2S)-4-oxo-1-[3-(2-trimethylsilylethoxymethoxy)benzoyl]pyrrolidine-2-carboxylate;methyl 3-(2-trimethylsilylethoxymethoxy)benzoate;sulfanylidene-[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

methane;methyl (2S)-4-oxo-1-[3-(2-trimethylsilylethoxymethoxy)benzoyl]pyrrolidine-2-carboxylate;methyl 3-(2-trimethylsilylethoxymethoxy)benzoate;sulfanylidene-[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (PubChem CID 157123032) has the molecular formula C34H53NO10S24Si2 and a molecular weight of 1461.57 g/mol. Its IUPAC name is methane;methyl (2S)-4-oxo-1-[3-(2-trimethylsilylethoxymethoxy)benzoyl]pyrrolidine-2-carboxylate;methyl 3-(2-trimethylsilylethoxymethoxy)benzoate;sulfanylidene-[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.

Molecular Properties

Compound Namemethane;methyl (2S)-4-oxo-1-[3-(2-trimethylsilylethoxymethoxy)benzoyl]pyrrolidine-2-carboxylate;methyl 3-(2-trimethylsilylethoxymethoxy)benzoate;sulfanylidene-[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
PubChem CID157123032
Molecular FormulaC34H53NO10S24Si2
Molecular Weight1461.57 g/mol
Exact Mass1458.65
IUPAC Namemethane;methyl (2S)-4-oxo-1-[3-(2-trimethylsilylethoxymethoxy)benzoyl]pyrrolidine-2-carboxylate;methyl 3-(2-trimethylsilylethoxymethoxy)benzoate;sulfanylidene-[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
SMILESC.COC(=O)[C@@H]1CC(=O)CN1C(=O)c1cccc(OCOCC[Si](C)(C)C)c1.COC(=O)c1cccc(OCOCC[Si](C)(C)C)c1.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S
InChIInChI=1S/C19H27NO6Si.C14H22O4Si.CH4.S24/c1-24-19(23)17-11-15(21)12-20(17)18(22)14-6-5-7-16(10-14)26-13-25-8-9-27(2,3)4;1-16-14(15)12-6-5-7-13(10-12)18-11-17-8-9-19(2,3)4;;1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h5-7,10,17H,8-9,11-13H2,1-4H3;5-7,10H,8-9,11H2,1-4H3;1H4;/t17-;;;/m0.../s1
InChIKeyAIERZIJFSVYHKC-FCQHKQNSSA-N
XLogP6.08
TPSA126.90 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001461.57
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methane;methyl (2S)-4-oxo-1-[3-(2-trimethylsilylethoxymethoxy)benzoyl]pyrrolidine-2-carboxylate;methyl 3-(2-trimethylsilylethoxymethoxy)benzoate;sulfanylidene-[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane 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

methyl 3-(phenylmethoxymethoxy)benzoate
CID 175253615
methyl 1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-oxopyridine-4-carboxylate
CID 58580277
methyl 8-bromo-4-(2-trimethylsilylethoxymethoxy)naphthalene-2-carboxylate
CID 21023517
methyl (2S)-1-[2-methyl-6-(2-trimethylsilylethoxymethoxy)benzoyl]-2,3-dihydropyrrole-2-carboxylate
CID 160623868
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303
methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501
2-[3-(3-methoxypropoxy)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 119195898
methyl 3-ethoxybenzoate
CID 3267781
methyl 3-octoxybenzoate
CID 72706029
methyl 3-(2-cyanoethoxy)benzoate
CID 69003479
2-(3-ethoxybenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 119196122
methyl 3-(2-iodoethoxy)benzoate
CID 10979673

Frequently Asked Questions

What is the IUPAC name of methane;methyl (2S)-4-oxo-1-[3-(2-trimethylsilylethoxymethoxy)benzoyl]pyrrolidine-2-carboxylate;methyl 3-(2-trimethylsilylethoxymethoxy)benzoate;sulfanylidene-[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The IUPAC name of methane;methyl (2S)-4-oxo-1-[3-(2-trimethylsilylethoxymethoxy)benzoyl]pyrrolidine-2-carboxylate;methyl 3-(2-trimethylsilylethoxymethoxy)benzoate;sulfanylidene-[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (CID 157123032) is methane;methyl (2S)-4-oxo-1-[3-(2-trimethylsilylethoxymethoxy)benzoyl]pyrrolidine-2-carboxylate;methyl 3-(2-trimethylsilylethoxymethoxy)benzoate;sulfanylidene-[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.
What is the SMILES notation for methane;methyl (2S)-4-oxo-1-[3-(2-trimethylsilylethoxymethoxy)benzoyl]pyrrolidine-2-carboxylate;methyl 3-(2-trimethylsilylethoxymethoxy)benzoate;sulfanylidene-[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The canonical SMILES for methane;methyl (2S)-4-oxo-1-[3-(2-trimethylsilylethoxymethoxy)benzoyl]pyrrolidine-2-carboxylate;methyl 3-(2-trimethylsilylethoxymethoxy)benzoate;sulfanylidene-[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is C.COC(=O)[C@@H]1CC(=O)CN1C(=O)c1cccc(OCOCC[Si](C)(C)C)c1.COC(=O)c1cccc(OCOCC[Si](C)(C)C)c1.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S.
What is the InChIKey of methane;methyl (2S)-4-oxo-1-[3-(2-trimethylsilylethoxymethoxy)benzoyl]pyrrolidine-2-carboxylate;methyl 3-(2-trimethylsilylethoxymethoxy)benzoate;sulfanylidene-[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The InChIKey is AIERZIJFSVYHKC-FCQHKQNSSA-N. The full InChI is InChI=1S/C19H27NO6Si.C14H22O4Si.CH4.S24/c1-24-19(23)17-11-15(21)12-20(17)18(22)14-6-5-7-16(10-14)26-13-25-8-9-27(2,3)4;1-16-14(15)12-6-5-7-13(10-12)18-11-17-8-9-19(2,3)4;;1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h5-7,10,17H,8-9,11-13H2,1-4H3;5-7,10H,8-9,11H2,1-4H3;1H4;/t17-;;;/m0.../s1.
What are the key properties of methane;methyl (2S)-4-oxo-1-[3-(2-trimethylsilylethoxymethoxy)benzoyl]pyrrolidine-2-carboxylate;methyl 3-(2-trimethylsilylethoxymethoxy)benzoate;sulfanylidene-[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
methane;methyl (2S)-4-oxo-1-[3-(2-trimethylsilylethoxymethoxy)benzoyl]pyrrolidine-2-carboxylate;methyl 3-(2-trimethylsilylethoxymethoxy)benzoate;sulfanylidene-[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane has a molecular weight of 1461.57 g/mol, XLogP of 6.08, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl (2S)-4-oxo-1-[3-(2-trimethylsilylethoxymethoxy)benzoyl]pyrrolidine-2-carboxylate;methyl 3-(2-trimethylsilylethoxymethoxy)benzoate;sulfanylidene-[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is sourced from PubChem (CID 157123032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).