(2R,3S,4R)-3-[dimethyl(phenyl)silyl]-2,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride

C14H20ClNO3SSi — CID 10712565

IUPAC(2R,3S,4R)-3-[dimethyl(phenyl)silyl]-2,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride
SMILESC[C@@H]1C(=O)N(S(=O)(=O)Cl)[C@H](C)[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C14H20ClNO3SSi/c1-10-13(11(2)16(14(10)17)20(15,18)19)21(3,4)12-8-6-5-7-9-12/h5-11,13H,1-4H3/t10-,11+,13-/m0/s1
InChIKeyAQKLIAMYMRDTOY-LOWVWBTDSA-N
MW345.92 g/mol
LogP2.32
Rot. Bonds3

About (2R,3S,4R)-3-[dimethyl(phenyl)silyl]-2,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride

(2R,3S,4R)-3-[dimethyl(phenyl)silyl]-2,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride (PubChem CID 10712565) has the molecular formula C14H20ClNO3SSi and a molecular weight of 345.92 g/mol. Its IUPAC name is (2R,3S,4R)-3-[dimethyl(phenyl)silyl]-2,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride.

Molecular Properties

Compound Name(2R,3S,4R)-3-[dimethyl(phenyl)silyl]-2,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride
PubChem CID10712565
Molecular FormulaC14H20ClNO3SSi
Molecular Weight345.92 g/mol
Exact Mass345.06
IUPAC Name(2R,3S,4R)-3-[dimethyl(phenyl)silyl]-2,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride
SMILESC[C@@H]1C(=O)N(S(=O)(=O)Cl)[C@H](C)[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C14H20ClNO3SSi/c1-10-13(11(2)16(14(10)17)20(15,18)19)21(3,4)12-8-6-5-7-9-12/h5-11,13H,1-4H3/t10-,11+,13-/m0/s1
InChIKeyAQKLIAMYMRDTOY-LOWVWBTDSA-N
XLogP2.32
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.92
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-2-[[dimethyl(phenyl)silyl]methyl]-3-methyl-4-oxoazetidine-1-sulfonyl chloride
CID 10616535
(3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3,5-dimethylpyrrolidin-2-one
CID 10634253
(3S,4S,5R)-4-[dimethyl(phenyl)silyl]-3,5-dimethylpyrrolidin-2-one
CID 10634254
(1R,5R,8R)-8-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one
CID 11414219
(1R,2S,5R)-2-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one
CID 11436806
1-[(4S,5R)-4-[dimethyl(phenyl)silyl]-2,2,5-trimethylpyrrolidin-1-yl]ethanone
CID 15418143
(3S,4R,5S)-5-ethenyl-3,4-dimethyl-4-[phenyl-di(propan-2-yl)silyl]pyrrolidin-2-one
CID 44253997
(3S,4R,5S)-4-[dimethyl(phenyl)silyl]-3,4-dimethyl-5-prop-2-enylpyrrolidin-2-one
CID 44255158
(1R,5R)-8-[dimethyl(phenyl)silyl]-6-azabicyclo[3.2.1]oct-3-en-7-one
CID 101203491
(3S,5R)-1-acetyl-5-ethenyl-3-[(E)-3-triphenylsilylprop-1-enyl]pyrrolidin-2-one
CID 101232489
(5R,8R)-5-[dimethyl(phenyl)silyl]-1,2,5,8-tetrahydropyrrolizin-3-one
CID 101853475
(2S,3R,4S)-3-[benzhydryl(dimethyl)silyl]-2-[[dimethyl(phenyl)silyl]methyl]-4-methyl-5-oxopyrrolidine-1-sulfonyl chloride
CID 102018343

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-3-[dimethyl(phenyl)silyl]-2,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride?
The IUPAC name of (2R,3S,4R)-3-[dimethyl(phenyl)silyl]-2,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride (CID 10712565) is (2R,3S,4R)-3-[dimethyl(phenyl)silyl]-2,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride.
What is the SMILES notation for (2R,3S,4R)-3-[dimethyl(phenyl)silyl]-2,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride?
The canonical SMILES for (2R,3S,4R)-3-[dimethyl(phenyl)silyl]-2,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride is C[C@@H]1C(=O)N(S(=O)(=O)Cl)[C@H](C)[C@H]1[Si](C)(C)c1ccccc1.
What is the InChIKey of (2R,3S,4R)-3-[dimethyl(phenyl)silyl]-2,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride?
The InChIKey is AQKLIAMYMRDTOY-LOWVWBTDSA-N. The full InChI is InChI=1S/C14H20ClNO3SSi/c1-10-13(11(2)16(14(10)17)20(15,18)19)21(3,4)12-8-6-5-7-9-12/h5-11,13H,1-4H3/t10-,11+,13-/m0/s1.
What are the key properties of (2R,3S,4R)-3-[dimethyl(phenyl)silyl]-2,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride?
(2R,3S,4R)-3-[dimethyl(phenyl)silyl]-2,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride has a molecular weight of 345.92 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-3-[dimethyl(phenyl)silyl]-2,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride is sourced from PubChem (CID 10712565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).