(S)-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylbutan-2-yl]-2-methylpropane-2-sulfinamide

C15H35NO2SSi — CID 90089955

IUPAC(S)-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylbutan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC[C@](C)(CO[Si](C)(C)C(C)(C)C)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C15H35NO2SSi/c1-11-15(8,16-19(17)13(2,3)4)12-18-20(9,10)14(5,6)7/h16H,11-12H2,1-10H3/t15-,19+/m1/s1
InChIKeyRDPOIGGNCCITQV-BEFAXECRSA-N
MW321.60 g/mol
LogP4.23
Rot. Bonds6

About (S)-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylbutan-2-yl]-2-methylpropane-2-sulfinamide

(S)-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylbutan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 90089955) has the molecular formula C15H35NO2SSi and a molecular weight of 321.60 g/mol. Its IUPAC name is (S)-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylbutan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylbutan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID90089955
Molecular FormulaC15H35NO2SSi
Molecular Weight321.60 g/mol
Exact Mass321.22
IUPAC Name(S)-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylbutan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC[C@](C)(CO[Si](C)(C)C(C)(C)C)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C15H35NO2SSi/c1-11-15(8,16-19(17)13(2,3)4)12-18-20(9,10)14(5,6)7/h16H,11-12H2,1-10H3/t15-,19+/m1/s1
InChIKeyRDPOIGGNCCITQV-BEFAXECRSA-N
XLogP4.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.60
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbon dioxide;2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide
CID 157064590
(S)-2-methyl-N-[(3R)-3-methylhex-5-en-3-yl]propane-2-sulfinamide
CID 125475744
N-[1-[tert-butyl(dimethyl)silyl]oxy-2-(3,5-dichloropyrazin-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide
CID 140806199
tert-butyl-(2,2-difluoropropoxy)-dimethylsilane
CID 123170783
N-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]acetamide
CID 91697077
(S)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 170592987
(NE,S)-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]-2-methylpropane-2-sulfinamide
CID 90089971
(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropanal
CID 44517038
3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropane-1,1-diol
CID 123722416
(R)-N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide
CID 140879191
tert-butyl-dimethyl-[4-[(S)-methylsulfinyl]butoxy]silane
CID 10332372
N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 67033403

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylbutan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylbutan-2-yl]-2-methylpropane-2-sulfinamide (CID 90089955) is (S)-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylbutan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylbutan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylbutan-2-yl]-2-methylpropane-2-sulfinamide is CC[C@](C)(CO[Si](C)(C)C(C)(C)C)N[S@@](=O)C(C)(C)C.
What is the InChIKey of (S)-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylbutan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is RDPOIGGNCCITQV-BEFAXECRSA-N. The full InChI is InChI=1S/C15H35NO2SSi/c1-11-15(8,16-19(17)13(2,3)4)12-18-20(9,10)14(5,6)7/h16H,11-12H2,1-10H3/t15-,19+/m1/s1.
What are the key properties of (S)-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylbutan-2-yl]-2-methylpropane-2-sulfinamide?
(S)-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylbutan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 321.60 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylbutan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 90089955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).