N-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]-2-methylpropane-2-sulfinamide

C25H37NO3SSi — CID 165411713

IUPACN-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]-2-methylpropane-2-sulfinamide
SMILESCC1(NS(=O)C(C)(C)C)COCC1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H37NO3SSi/c1-23(2,3)30(27)26-25(7)19-28-18-22(25)29-31(24(4,5)6,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,22,26H,18-19H2,1-7H3
InChIKeyKJVQOOUTUOEVFQ-UHFFFAOYSA-N
MW459.73 g/mol
LogP3.77
Rot. Bonds6

About N-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]-2-methylpropane-2-sulfinamide

N-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]-2-methylpropane-2-sulfinamide (PubChem CID 165411713) has the molecular formula C25H37NO3SSi and a molecular weight of 459.73 g/mol. Its IUPAC name is N-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]-2-methylpropane-2-sulfinamide
PubChem CID165411713
Molecular FormulaC25H37NO3SSi
Molecular Weight459.73 g/mol
Exact Mass459.23
IUPAC NameN-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]-2-methylpropane-2-sulfinamide
SMILESCC1(NS(=O)C(C)(C)C)COCC1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H37NO3SSi/c1-23(2,3)30(27)26-25(7)19-28-18-22(25)29-31(24(4,5)6,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,22,26H,18-19H2,1-7H3
InChIKeyKJVQOOUTUOEVFQ-UHFFFAOYSA-N
XLogP3.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.73
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[4-(4-iodopiperidin-1-yl)-4-methyloxolan-3-yl]oxy-diphenylsilane
CID 156730757
N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-phenylcyclobutyl]-2-methylpropane-2-sulfinamide
CID 178086838
tert-butyl-[(3R)-2,2-dimethyloxolan-3-yl]oxy-diphenylsilane
CID 125472963
tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane
CID 171553746
tert-butyl (3S)-4-[(3S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]-3-methylpiperazine-1-carboxylate
CID 163277617
(6S,6aS)-6-[tert-butyl(diphenyl)silyl]oxy-6a-methyl-5,6-dihydro-4H-cyclopenta[b]furan-2-one
CID 152599118
1-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]-3-[(R)-tert-butylsulfinyl]urea
CID 71608774
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
tert-butyl-[[(8S)-7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-diphenylsilane
CID 146029391
(5R,9R)-9-[tert-butyl(diphenyl)silyl]oxyspiro[4.4]nonan-4-one
CID 10453157
2-[4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl]-2-oxoacetaldehyde
CID 171085563
tert-butyl-[(1S,2R,5S)-2-methyl-5-(2-methyloxiran-2-yl)cyclohex-3-en-1-yl]oxy-diphenylsilane
CID 11223498

Frequently Asked Questions

What is the IUPAC name of N-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]-2-methylpropane-2-sulfinamide (CID 165411713) is N-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]-2-methylpropane-2-sulfinamide is CC1(NS(=O)C(C)(C)C)COCC1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of N-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is KJVQOOUTUOEVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO3SSi/c1-23(2,3)30(27)26-25(7)19-28-18-22(25)29-31(24(4,5)6,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,22,26H,18-19H2,1-7H3.
What are the key properties of N-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]-2-methylpropane-2-sulfinamide?
N-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 459.73 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 165411713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).