methyl (2S,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)piperidine-1-carboxylate

C30H43NO5S2Si — CID 10918999

IUPACmethyl (2S,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)piperidine-1-carboxylate
SMILESCOCO[C@@H]1CC[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC)[C@@H]1C1SCCS1
InChIInChI=1S/C30H43NO5S2Si/c1-30(2,3)39(24-12-8-6-9-13-24,25-14-10-7-11-15-25)36-19-18-23-16-17-26(35-22-33-4)27(28-37-20-21-38-28)31(23)29(32)34-5/h6-15,23,26-28H,16-22H2,1-5H3/t23-,26-,27+/m1/s1
InChIKeyMNNSGUXYKZMANI-MVNQZMKCSA-N
MW589.90 g/mol
LogP5.35
Rot. Bonds10

About methyl (2S,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)piperidine-1-carboxylate

methyl (2S,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)piperidine-1-carboxylate (PubChem CID 10918999) has the molecular formula C30H43NO5S2Si and a molecular weight of 589.90 g/mol. Its IUPAC name is methyl (2S,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)piperidine-1-carboxylate
PubChem CID10918999
Molecular FormulaC30H43NO5S2Si
Molecular Weight589.90 g/mol
Exact Mass589.24
IUPAC Namemethyl (2S,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)piperidine-1-carboxylate
SMILESCOCO[C@@H]1CC[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC)[C@@H]1C1SCCS1
InChIInChI=1S/C30H43NO5S2Si/c1-30(2,3)39(24-12-8-6-9-13-24,25-14-10-7-11-15-25)36-19-18-23-16-17-26(35-22-33-4)27(28-37-20-21-38-28)31(23)29(32)34-5/h6-15,23,26-28H,16-22H2,1-5H3/t23-,26-,27+/m1/s1
InChIKeyMNNSGUXYKZMANI-MVNQZMKCSA-N
XLogP5.35
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.90
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl (2S,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)piperidine-1-carboxylate with MolForge

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Related Compounds

2-O-ethoxycarbonyl 1-O-methyl (2R,3S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenylpiperidine-1,2-dicarboxylate
CID 11261404
methyl (1S,5S,6S)-1-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-bis(methoxymethoxy)cyclohex-2-ene-1-carboxylate
CID 102039676
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid
CID 175419157
(1R,4S,6R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(methoxymethoxy)cyclohex-2-en-1-ol
CID 15981598
dimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate
CID 10002054
(4aS,7R)-7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one
CID 73293002
tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxypyrrolidine-1-carboxylate
CID 10719141
tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 178077601
tert-butyl 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 11329701
(1S)-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,3,3a,4,5,7,8,9-octahydro-1H-pyrrolo[1,2-a]quinolin-6-one
CID 11225259
4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 23254557
[(3R,4S,6S,9aS)-6-(benzenesulfonylmethyl)-3-(methoxymethoxy)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methoxy-tert-butyl-diphenylsilane
CID 10817672

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)piperidine-1-carboxylate?
The IUPAC name of methyl (2S,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)piperidine-1-carboxylate (CID 10918999) is methyl (2S,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)piperidine-1-carboxylate.
What is the SMILES notation for methyl (2S,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)piperidine-1-carboxylate?
The canonical SMILES for methyl (2S,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)piperidine-1-carboxylate is COCO[C@@H]1CC[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC)[C@@H]1C1SCCS1.
What is the InChIKey of methyl (2S,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)piperidine-1-carboxylate?
The InChIKey is MNNSGUXYKZMANI-MVNQZMKCSA-N. The full InChI is InChI=1S/C30H43NO5S2Si/c1-30(2,3)39(24-12-8-6-9-13-24,25-14-10-7-11-15-25)36-19-18-23-16-17-26(35-22-33-4)27(28-37-20-21-38-28)31(23)29(32)34-5/h6-15,23,26-28H,16-22H2,1-5H3/t23-,26-,27+/m1/s1.
What are the key properties of methyl (2S,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)piperidine-1-carboxylate?
methyl (2S,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)piperidine-1-carboxylate has a molecular weight of 589.90 g/mol, XLogP of 5.35, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)piperidine-1-carboxylate is sourced from PubChem (CID 10918999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).