[(2S,4R)-4-azido-1-methylsulfonylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane

C22H30N4O3SSi — CID 140846362

IUPAC[(2S,4R)-4-azido-1-methylsulfonylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@@H](N=[N+]=[N-])CN1S(C)(=O)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30N4O3SSi/c1-22(2,3)31(20-11-7-5-8-12-20,21-13-9-6-10-14-21)29-17-19-15-18(24-25-23)16-26(19)30(4,27)28/h5-14,18-19H,15-17H2,1-4H3/t18-,19+/m1/s1
InChIKeyFSPFZGFTUQDQEX-MOPGFXCFSA-N
MW458.66 g/mol
LogP3.28
Rot. Bonds7

About [(2S,4R)-4-azido-1-methylsulfonylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane

[(2S,4R)-4-azido-1-methylsulfonylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 140846362) has the molecular formula C22H30N4O3SSi and a molecular weight of 458.66 g/mol. Its IUPAC name is [(2S,4R)-4-azido-1-methylsulfonylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2S,4R)-4-azido-1-methylsulfonylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID140846362
Molecular FormulaC22H30N4O3SSi
Molecular Weight458.66 g/mol
Exact Mass458.18
IUPAC Name[(2S,4R)-4-azido-1-methylsulfonylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@@H](N=[N+]=[N-])CN1S(C)(=O)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30N4O3SSi/c1-22(2,3)31(20-11-7-5-8-12-20,21-13-9-6-10-14-21)29-17-19-15-18(24-25-23)16-26(19)30(4,27)28/h5-14,18-19H,15-17H2,1-4H3/t18-,19+/m1/s1
InChIKeyFSPFZGFTUQDQEX-MOPGFXCFSA-N
XLogP3.28
TPSA95.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.66
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(1R,3R,5R,8S)-8-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azatricyclo[4.3.0.01,3]nonan-7-one
CID 10928421
(3S,5R)-3-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
CID 11954841
[(1R,2R)-2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane
CID 10021768
tert-butyl-[[(2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylazetidin-2-yl]methoxy]-diphenylsilane
CID 59052953
(2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carboxylic acid
CID 141362787
methyl (2S,3R,4S)-3-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetane-2-carboxylate
CID 23255904
tert-butyl (2S,4S)-4-(aminomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 140846318
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243
cis-(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
CID 162119958
(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol
CID 58679019
benzyl (1S,4S,6S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 59396023
tert-butyl (2S,4R)-4-amino-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 69332987

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-azido-1-methylsulfonylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(2S,4R)-4-azido-1-methylsulfonylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane (CID 140846362) is [(2S,4R)-4-azido-1-methylsulfonylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2S,4R)-4-azido-1-methylsulfonylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(2S,4R)-4-azido-1-methylsulfonylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OC[C@@H]1C[C@@H](N=[N+]=[N-])CN1S(C)(=O)=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S,4R)-4-azido-1-methylsulfonylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is FSPFZGFTUQDQEX-MOPGFXCFSA-N. The full InChI is InChI=1S/C22H30N4O3SSi/c1-22(2,3)31(20-11-7-5-8-12-20,21-13-9-6-10-14-21)29-17-19-15-18(24-25-23)16-26(19)30(4,27)28/h5-14,18-19H,15-17H2,1-4H3/t18-,19+/m1/s1.
What are the key properties of [(2S,4R)-4-azido-1-methylsulfonylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane?
[(2S,4R)-4-azido-1-methylsulfonylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 458.66 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-azido-1-methylsulfonylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 140846362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).