methyl 2-[furan-2-yl-(2-trimethylsilylethylsulfonylamino)methyl]prop-2-enoate

C14H23NO5SSi — CID 11290925

IUPACmethyl 2-[furan-2-yl-(2-trimethylsilylethylsulfonylamino)methyl]prop-2-enoate
SMILESC=C(C(=O)OC)C(NS(=O)(=O)CC[Si](C)(C)C)c1ccco1
InChIInChI=1S/C14H23NO5SSi/c1-11(14(16)19-2)13(12-7-6-8-20-12)15-21(17,18)9-10-22(3,4)5/h6-8,13,15H,1,9-10H2,2-5H3
InChIKeyVCMRGAISKSUEDJ-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.31
Rot. Bonds8

About methyl 2-[furan-2-yl-(2-trimethylsilylethylsulfonylamino)methyl]prop-2-enoate

methyl 2-[furan-2-yl-(2-trimethylsilylethylsulfonylamino)methyl]prop-2-enoate (PubChem CID 11290925) has the molecular formula C14H23NO5SSi and a molecular weight of 345.49 g/mol. Its IUPAC name is methyl 2-[furan-2-yl-(2-trimethylsilylethylsulfonylamino)methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[furan-2-yl-(2-trimethylsilylethylsulfonylamino)methyl]prop-2-enoate
PubChem CID11290925
Molecular FormulaC14H23NO5SSi
Molecular Weight345.49 g/mol
Exact Mass345.11
IUPAC Namemethyl 2-[furan-2-yl-(2-trimethylsilylethylsulfonylamino)methyl]prop-2-enoate
SMILESC=C(C(=O)OC)C(NS(=O)(=O)CC[Si](C)(C)C)c1ccco1
InChIInChI=1S/C14H23NO5SSi/c1-11(14(16)19-2)13(12-7-6-8-20-12)15-21(17,18)9-10-22(3,4)5/h6-8,13,15H,1,9-10H2,2-5H3
InChIKeyVCMRGAISKSUEDJ-UHFFFAOYSA-N
XLogP2.31
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(S)-furan-2-yl(hydroxy)methyl]prop-2-enoate
CID 28595486
3-[1-(furan-2-yl)ethylsulfamoyl]propanoic acid
CID 43535671
methyl 4-(furan-2-yl)-4-hydroxy-2-oxobutanoate
CID 135218937
N-[(2R)-1-hydroxypropan-2-yl]-2-trimethylsilylethanesulfonamide
CID 117063206
methyl N-[2-(furan-2-yl)-2-methoxyethyl]carbamate
CID 121145445
N-[2,2-bis(furan-2-yl)ethyl]-2-methoxyacetamide
CID 131701769
ethyl 2-[furan-2-yl(hydroxy)methyl]prop-2-enoate
CID 10750378
ethyl 2-[(R)-furan-2-yl(hydroxy)methyl]prop-2-enoate
CID 135054134
3-[1-(furan-2-yl)propan-2-ylsulfamoyl]propanoic acid
CID 43708955
methyl (2R,3R)-2-(azidomethyl)-3-(2-iodophenyl)-3-(2-trimethylsilylethylsulfonylamino)propanoate
CID 25259560
N-[(1R)-1-(furan-2-yl)ethyl]ethanesulfonamide
CID 81400303
3-[(diethoxyphosphinothioylamino)-(furan-2-yl)methyl]but-3-en-2-one
CID 23643629

Frequently Asked Questions

What is the IUPAC name of methyl 2-[furan-2-yl-(2-trimethylsilylethylsulfonylamino)methyl]prop-2-enoate?
The IUPAC name of methyl 2-[furan-2-yl-(2-trimethylsilylethylsulfonylamino)methyl]prop-2-enoate (CID 11290925) is methyl 2-[furan-2-yl-(2-trimethylsilylethylsulfonylamino)methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[furan-2-yl-(2-trimethylsilylethylsulfonylamino)methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[furan-2-yl-(2-trimethylsilylethylsulfonylamino)methyl]prop-2-enoate is C=C(C(=O)OC)C(NS(=O)(=O)CC[Si](C)(C)C)c1ccco1.
What is the InChIKey of methyl 2-[furan-2-yl-(2-trimethylsilylethylsulfonylamino)methyl]prop-2-enoate?
The InChIKey is VCMRGAISKSUEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5SSi/c1-11(14(16)19-2)13(12-7-6-8-20-12)15-21(17,18)9-10-22(3,4)5/h6-8,13,15H,1,9-10H2,2-5H3.
What are the key properties of methyl 2-[furan-2-yl-(2-trimethylsilylethylsulfonylamino)methyl]prop-2-enoate?
methyl 2-[furan-2-yl-(2-trimethylsilylethylsulfonylamino)methyl]prop-2-enoate has a molecular weight of 345.49 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[furan-2-yl-(2-trimethylsilylethylsulfonylamino)methyl]prop-2-enoate is sourced from PubChem (CID 11290925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).