2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetic acid

C11H17NO3SSi — CID 87165379

IUPAC2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetic acid
SMILESC[Si](C)(C)N=S(=O)(CC(=O)O)c1ccccc1
InChIInChI=1S/C11H17NO3SSi/c1-17(2,3)12-16(15,9-11(13)14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14)
InChIKeyAMSVKPNVBMIGJF-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.43
Rot. Bonds4

About 2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetic acid

2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetic acid (PubChem CID 87165379) has the molecular formula C11H17NO3SSi and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetic acid.

Molecular Properties

Compound Name2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetic acid
PubChem CID87165379
Molecular FormulaC11H17NO3SSi
Molecular Weight271.41 g/mol
Exact Mass271.07
IUPAC Name2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetic acid
SMILESC[Si](C)(C)N=S(=O)(CC(=O)O)c1ccccc1
InChIInChI=1S/C11H17NO3SSi/c1-17(2,3)12-16(15,9-11(13)14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14)
InChIKeyAMSVKPNVBMIGJF-UHFFFAOYSA-N
XLogP2.43
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
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-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetic acid?
The IUPAC name of 2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetic acid (CID 87165379) is 2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetic acid.
What is the SMILES notation for 2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetic acid?
The canonical SMILES for 2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetic acid is C[Si](C)(C)N=S(=O)(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetic acid?
The InChIKey is AMSVKPNVBMIGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3SSi/c1-17(2,3)12-16(15,9-11(13)14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14).
What are the key properties of 2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetic acid?
2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetic acid has a molecular weight of 271.41 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetic acid is sourced from PubChem (CID 87165379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).