2-oxo-4-[[phenyl-di(propan-2-yl)silyl]methyl]azetidine-1-sulfonyl chloride

C16H24ClNO3SSi — CID 10833185

IUPAC2-oxo-4-[[phenyl-di(propan-2-yl)silyl]methyl]azetidine-1-sulfonyl chloride
SMILESCC(C)[Si](CC1CC(=O)N1S(=O)(=O)Cl)(c1ccccc1)C(C)C
InChIInChI=1S/C16H24ClNO3SSi/c1-12(2)23(13(3)4,15-8-6-5-7-9-15)11-14-10-16(19)18(14)22(17,20)21/h5-9,12-14H,10-11H2,1-4H3
InChIKeyVTFKJVFMSIRYPR-UHFFFAOYSA-N
MW373.98 g/mol
LogP3.25
Rot. Bonds6

About 2-oxo-4-[[phenyl-di(propan-2-yl)silyl]methyl]azetidine-1-sulfonyl chloride

2-oxo-4-[[phenyl-di(propan-2-yl)silyl]methyl]azetidine-1-sulfonyl chloride (PubChem CID 10833185) has the molecular formula C16H24ClNO3SSi and a molecular weight of 373.98 g/mol. Its IUPAC name is 2-oxo-4-[[phenyl-di(propan-2-yl)silyl]methyl]azetidine-1-sulfonyl chloride.

Molecular Properties

Compound Name2-oxo-4-[[phenyl-di(propan-2-yl)silyl]methyl]azetidine-1-sulfonyl chloride
PubChem CID10833185
Molecular FormulaC16H24ClNO3SSi
Molecular Weight373.98 g/mol
Exact Mass373.09
IUPAC Name2-oxo-4-[[phenyl-di(propan-2-yl)silyl]methyl]azetidine-1-sulfonyl chloride
SMILESCC(C)[Si](CC1CC(=O)N1S(=O)(=O)Cl)(c1ccccc1)C(C)C
InChIInChI=1S/C16H24ClNO3SSi/c1-12(2)23(13(3)4,15-8-6-5-7-9-15)11-14-10-16(19)18(14)22(17,20)21/h5-9,12-14H,10-11H2,1-4H3
InChIKeyVTFKJVFMSIRYPR-UHFFFAOYSA-N
XLogP3.25
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.98
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-[[phenyl-di(propan-2-yl)silyl]methyl]azetidine-1-sulfonyl chloride?
The IUPAC name of 2-oxo-4-[[phenyl-di(propan-2-yl)silyl]methyl]azetidine-1-sulfonyl chloride (CID 10833185) is 2-oxo-4-[[phenyl-di(propan-2-yl)silyl]methyl]azetidine-1-sulfonyl chloride.
What is the SMILES notation for 2-oxo-4-[[phenyl-di(propan-2-yl)silyl]methyl]azetidine-1-sulfonyl chloride?
The canonical SMILES for 2-oxo-4-[[phenyl-di(propan-2-yl)silyl]methyl]azetidine-1-sulfonyl chloride is CC(C)[Si](CC1CC(=O)N1S(=O)(=O)Cl)(c1ccccc1)C(C)C.
What is the InChIKey of 2-oxo-4-[[phenyl-di(propan-2-yl)silyl]methyl]azetidine-1-sulfonyl chloride?
The InChIKey is VTFKJVFMSIRYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO3SSi/c1-12(2)23(13(3)4,15-8-6-5-7-9-15)11-14-10-16(19)18(14)22(17,20)21/h5-9,12-14H,10-11H2,1-4H3.
What are the key properties of 2-oxo-4-[[phenyl-di(propan-2-yl)silyl]methyl]azetidine-1-sulfonyl chloride?
2-oxo-4-[[phenyl-di(propan-2-yl)silyl]methyl]azetidine-1-sulfonyl chloride has a molecular weight of 373.98 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-[[phenyl-di(propan-2-yl)silyl]methyl]azetidine-1-sulfonyl chloride is sourced from PubChem (CID 10833185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).