methyl (2S)-3-phenyl-2-(2-trimethylsilylethylsulfonylamino)propanoate

C15H25NO4SSi — CID 134985590

IUPACmethyl (2S)-3-phenyl-2-(2-trimethylsilylethylsulfonylamino)propanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)CC[Si](C)(C)C
InChIInChI=1S/C15H25NO4SSi/c1-20-15(17)14(12-13-8-6-5-7-9-13)16-21(18,19)10-11-22(2,3)4/h5-9,14,16H,10-12H2,1-4H3/t14-/m0/s1
InChIKeyMSOAWOCNPKWPMT-AWEZNQCLSA-N
MW343.52 g/mol
LogP2.03
Rot. Bonds8

About methyl (2S)-3-phenyl-2-(2-trimethylsilylethylsulfonylamino)propanoate

methyl (2S)-3-phenyl-2-(2-trimethylsilylethylsulfonylamino)propanoate (PubChem CID 134985590) has the molecular formula C15H25NO4SSi and a molecular weight of 343.52 g/mol. Its IUPAC name is methyl (2S)-3-phenyl-2-(2-trimethylsilylethylsulfonylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-phenyl-2-(2-trimethylsilylethylsulfonylamino)propanoate
PubChem CID134985590
Molecular FormulaC15H25NO4SSi
Molecular Weight343.52 g/mol
Exact Mass343.13
IUPAC Namemethyl (2S)-3-phenyl-2-(2-trimethylsilylethylsulfonylamino)propanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)CC[Si](C)(C)C
InChIInChI=1S/C15H25NO4SSi/c1-20-15(17)14(12-13-8-6-5-7-9-13)16-21(18,19)10-11-22(2,3)4/h5-9,14,16H,10-12H2,1-4H3/t14-/m0/s1
InChIKeyMSOAWOCNPKWPMT-AWEZNQCLSA-N
XLogP2.03
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-(2-methylpropylsulfamoylamino)-3-phenylpropanoate
CID 127035861
methyl (2S)-2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]sulfamoylamino]-3-phenylpropanoate
CID 10717006
methyl (2S)-2-[(4-methylbenzene)sulfonamido]-3-phenylpropanoate
CID 728666
methyl (2S)-2-[[amino-oxo-(2-phenylethyl)-lambda6-sulfanylidene]amino]-3-phenylpropanoate
CID 15517831
N-(16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide
CID 25023384
N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide
CID 25023448
N-(Trifluoromethylsulfonyl)-L-phenylalanine methyl ester
CID 102474263
Methyl 2-{[(4-methylphenyl)sulfonyl]amino}-3-phenylpropanoate
CID 334515
N-Acetyltaurylphenylalanine methyl ester
CID 195500
(S)-Methyl 4-phenyl-2-(trifluoromethylsulfonamido)butanoate
CID 72183463
Methyl 2-(tert-butylsulfonylamino)-2-(4-fluorophenyl)acetate
CID 134966175
N-[(2-phenylvinyl)sulfonyl]phenylalanine
CID 5736640

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-phenyl-2-(2-trimethylsilylethylsulfonylamino)propanoate?
The IUPAC name of methyl (2S)-3-phenyl-2-(2-trimethylsilylethylsulfonylamino)propanoate (CID 134985590) is methyl (2S)-3-phenyl-2-(2-trimethylsilylethylsulfonylamino)propanoate.
What is the SMILES notation for methyl (2S)-3-phenyl-2-(2-trimethylsilylethylsulfonylamino)propanoate?
The canonical SMILES for methyl (2S)-3-phenyl-2-(2-trimethylsilylethylsulfonylamino)propanoate is COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)CC[Si](C)(C)C.
What is the InChIKey of methyl (2S)-3-phenyl-2-(2-trimethylsilylethylsulfonylamino)propanoate?
The InChIKey is MSOAWOCNPKWPMT-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25NO4SSi/c1-20-15(17)14(12-13-8-6-5-7-9-13)16-21(18,19)10-11-22(2,3)4/h5-9,14,16H,10-12H2,1-4H3/t14-/m0/s1.
What are the key properties of methyl (2S)-3-phenyl-2-(2-trimethylsilylethylsulfonylamino)propanoate?
methyl (2S)-3-phenyl-2-(2-trimethylsilylethylsulfonylamino)propanoate has a molecular weight of 343.52 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-phenyl-2-(2-trimethylsilylethylsulfonylamino)propanoate is sourced from PubChem (CID 134985590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).