N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(6-propoxy-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide

C20H38N2O3SSi — CID 78034981

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxy-1-(6-propoxy-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCCCOc1ccc(C(CO[Si](C)(C)C(C)(C)C)NS(=O)C(C)(C)C)cn1
InChIInChI=1S/C20H38N2O3SSi/c1-10-13-24-18-12-11-16(14-21-18)17(22-26(23)19(2,3)4)15-25-27(8,9)20(5,6)7/h11-12,14,17,22H,10,13,15H2,1-9H3
InChIKeyMUDYGEWSFNDWIC-UHFFFAOYSA-N
MW414.69 g/mol
LogP4.99
Rot. Bonds9

About N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(6-propoxy-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide

N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(6-propoxy-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 78034981) has the molecular formula C20H38N2O3SSi and a molecular weight of 414.69 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(6-propoxy-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[2-[tert-butyl(dimethyl)silyl]oxy-1-(6-propoxy-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID78034981
Molecular FormulaC20H38N2O3SSi
Molecular Weight414.69 g/mol
Exact Mass414.24
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxy-1-(6-propoxy-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCCCOc1ccc(C(CO[Si](C)(C)C(C)(C)C)NS(=O)C(C)(C)C)cn1
InChIInChI=1S/C20H38N2O3SSi/c1-10-13-24-18-12-11-16(14-21-18)17(22-26(23)19(2,3)4)15-25-27(8,9)20(5,6)7/h11-12,14,17,22H,10,13,15H2,1-9H3
InChIKeyMUDYGEWSFNDWIC-UHFFFAOYSA-N
XLogP4.99
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.69
LogP ≤ 54.99
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

N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 67033403
(R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide
CID 135006991
(S)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 170592987
N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 140684190
(R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 135005358
(R)-2-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide
CID 67509888
2-methyl-N-[1-(4-propoxyphenyl)propyl]propane-2-sulfinamide
CID 69247044
(R)-N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
CID 67509758
N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-ylethyl]-2-methylpropane-2-sulfinamide
CID 102250228
(S)-2-methyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]propane-2-sulfinamide
CID 156777027
(S)-2-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)propyl]propane-2-sulfinamide
CID 67521466
(S)-N-[1-(6-bromo-3-pyridinyl)butyl]-2-methylpropane-2-sulfinamide
CID 90939981

Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(6-propoxy-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(6-propoxy-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide (CID 78034981) is N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(6-propoxy-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(6-propoxy-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(6-propoxy-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide is CCCOc1ccc(C(CO[Si](C)(C)C(C)(C)C)NS(=O)C(C)(C)C)cn1.
What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(6-propoxy-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is MUDYGEWSFNDWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O3SSi/c1-10-13-24-18-12-11-16(14-21-18)17(22-26(23)19(2,3)4)15-25-27(8,9)20(5,6)7/h11-12,14,17,22H,10,13,15H2,1-9H3.
What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(6-propoxy-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide?
N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(6-propoxy-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 414.69 g/mol, XLogP of 4.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(6-propoxy-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 78034981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).