S-[2-[(2R)-2-[dimethylsilyloxy-[(2-methylpropan-2-yl)oxy]methyl]-5-oxopyrrolidin-1-yl]ethyl] ethanethioate

C15H29NO4SSi — CID 154145549

IUPACS-[2-[(2R)-2-[dimethylsilyloxy-[(2-methylpropan-2-yl)oxy]methyl]-5-oxopyrrolidin-1-yl]ethyl] ethanethioate
SMILESCC(=O)SCCN1C(=O)CC[C@@H]1C(O[SiH](C)C)OC(C)(C)C
InChIInChI=1S/C15H29NO4SSi/c1-11(17)21-10-9-16-12(7-8-13(16)18)14(20-22(5)6)19-15(2,3)4/h12,14,22H,7-10H2,1-6H3/t12-,14?/m1/s1
InChIKeyLWLPJBVRIHQBTO-PUODRLBUSA-N
MW347.55 g/mol
LogP2.40
Rot. Bonds7

About S-[2-[(2R)-2-[dimethylsilyloxy-[(2-methylpropan-2-yl)oxy]methyl]-5-oxopyrrolidin-1-yl]ethyl] ethanethioate

S-[2-[(2R)-2-[dimethylsilyloxy-[(2-methylpropan-2-yl)oxy]methyl]-5-oxopyrrolidin-1-yl]ethyl] ethanethioate (PubChem CID 154145549) has the molecular formula C15H29NO4SSi and a molecular weight of 347.55 g/mol. Its IUPAC name is S-[2-[(2R)-2-[dimethylsilyloxy-[(2-methylpropan-2-yl)oxy]methyl]-5-oxopyrrolidin-1-yl]ethyl] ethanethioate.

Molecular Properties

Compound NameS-[2-[(2R)-2-[dimethylsilyloxy-[(2-methylpropan-2-yl)oxy]methyl]-5-oxopyrrolidin-1-yl]ethyl] ethanethioate
PubChem CID154145549
Molecular FormulaC15H29NO4SSi
Molecular Weight347.55 g/mol
Exact Mass347.16
IUPAC NameS-[2-[(2R)-2-[dimethylsilyloxy-[(2-methylpropan-2-yl)oxy]methyl]-5-oxopyrrolidin-1-yl]ethyl] ethanethioate
SMILESCC(=O)SCCN1C(=O)CC[C@@H]1C(O[SiH](C)C)OC(C)(C)C
InChIInChI=1S/C15H29NO4SSi/c1-11(17)21-10-9-16-12(7-8-13(16)18)14(20-22(5)6)19-15(2,3)4/h12,14,22H,7-10H2,1-6H3/t12-,14?/m1/s1
InChIKeyLWLPJBVRIHQBTO-PUODRLBUSA-N
XLogP2.40
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.55
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-[2-[(2R)-2-[dimethylsilyloxy-[(2-methylpropan-2-yl)oxy]methyl]-5-oxopyrrolidin-1-yl]ethyl] ethanethioate?
The IUPAC name of S-[2-[(2R)-2-[dimethylsilyloxy-[(2-methylpropan-2-yl)oxy]methyl]-5-oxopyrrolidin-1-yl]ethyl] ethanethioate (CID 154145549) is S-[2-[(2R)-2-[dimethylsilyloxy-[(2-methylpropan-2-yl)oxy]methyl]-5-oxopyrrolidin-1-yl]ethyl] ethanethioate.
What is the SMILES notation for S-[2-[(2R)-2-[dimethylsilyloxy-[(2-methylpropan-2-yl)oxy]methyl]-5-oxopyrrolidin-1-yl]ethyl] ethanethioate?
The canonical SMILES for S-[2-[(2R)-2-[dimethylsilyloxy-[(2-methylpropan-2-yl)oxy]methyl]-5-oxopyrrolidin-1-yl]ethyl] ethanethioate is CC(=O)SCCN1C(=O)CC[C@@H]1C(O[SiH](C)C)OC(C)(C)C.
What is the InChIKey of S-[2-[(2R)-2-[dimethylsilyloxy-[(2-methylpropan-2-yl)oxy]methyl]-5-oxopyrrolidin-1-yl]ethyl] ethanethioate?
The InChIKey is LWLPJBVRIHQBTO-PUODRLBUSA-N. The full InChI is InChI=1S/C15H29NO4SSi/c1-11(17)21-10-9-16-12(7-8-13(16)18)14(20-22(5)6)19-15(2,3)4/h12,14,22H,7-10H2,1-6H3/t12-,14?/m1/s1.
What are the key properties of S-[2-[(2R)-2-[dimethylsilyloxy-[(2-methylpropan-2-yl)oxy]methyl]-5-oxopyrrolidin-1-yl]ethyl] ethanethioate?
S-[2-[(2R)-2-[dimethylsilyloxy-[(2-methylpropan-2-yl)oxy]methyl]-5-oxopyrrolidin-1-yl]ethyl] ethanethioate has a molecular weight of 347.55 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for S-[2-[(2R)-2-[dimethylsilyloxy-[(2-methylpropan-2-yl)oxy]methyl]-5-oxopyrrolidin-1-yl]ethyl] ethanethioate is sourced from PubChem (CID 154145549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).