N-[2-[tert-butyl(dimethyl)silyl]oxy-1-imidazo[1,2-a]pyridin-8-ylethyl]-2-methylpropane-2-sulfinamide

C19H33N3O2SSi — CID 140960913

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxy-1-imidazo[1,2-a]pyridin-8-ylethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(CO[Si](C)(C)C(C)(C)C)c1cccn2ccnc12
InChIInChI=1S/C19H33N3O2SSi/c1-18(2,3)25(23)21-16(14-24-26(7,8)19(4,5)6)15-10-9-12-22-13-11-20-17(15)22/h9-13,16,21H,14H2,1-8H3
InChIKeyBJHWRLRTXAQCOZ-UHFFFAOYSA-N
MW395.65 g/mol
LogP4.45
Rot. Bonds6

About N-[2-[tert-butyl(dimethyl)silyl]oxy-1-imidazo[1,2-a]pyridin-8-ylethyl]-2-methylpropane-2-sulfinamide

N-[2-[tert-butyl(dimethyl)silyl]oxy-1-imidazo[1,2-a]pyridin-8-ylethyl]-2-methylpropane-2-sulfinamide (PubChem CID 140960913) has the molecular formula C19H33N3O2SSi and a molecular weight of 395.65 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxy-1-imidazo[1,2-a]pyridin-8-ylethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[2-[tert-butyl(dimethyl)silyl]oxy-1-imidazo[1,2-a]pyridin-8-ylethyl]-2-methylpropane-2-sulfinamide
PubChem CID140960913
Molecular FormulaC19H33N3O2SSi
Molecular Weight395.65 g/mol
Exact Mass395.21
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxy-1-imidazo[1,2-a]pyridin-8-ylethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(CO[Si](C)(C)C(C)(C)C)c1cccn2ccnc12
InChIInChI=1S/C19H33N3O2SSi/c1-18(2,3)25(23)21-16(14-24-26(7,8)19(4,5)6)15-10-9-12-22-13-11-20-17(15)22/h9-13,16,21H,14H2,1-8H3
InChIKeyBJHWRLRTXAQCOZ-UHFFFAOYSA-N
XLogP4.45
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.65
LogP ≤ 54.45
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-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-ylethyl]-2-methylpropane-2-sulfinamide
CID 102250228
N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dihydro-2-benzofuran-4-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 140960868
(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-(3,4-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 67033403
(R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 135005358
N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(6-propoxy-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 78034981
(R)-N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide
CID 140879191
(S)-N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-3-pyridin-2-ylpentan-2-yl]-2-methylpropane-2-sulfinamide
CID 140879441
N-tert-butylimidazo[1,2-a]pyridin-8-amine
CID 139390352
tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyphenyl)ethyl]carbamate
CID 171372732
N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-8-hydroxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 86713409

Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxy-1-imidazo[1,2-a]pyridin-8-ylethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxy-1-imidazo[1,2-a]pyridin-8-ylethyl]-2-methylpropane-2-sulfinamide (CID 140960913) is N-[2-[tert-butyl(dimethyl)silyl]oxy-1-imidazo[1,2-a]pyridin-8-ylethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxy-1-imidazo[1,2-a]pyridin-8-ylethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxy-1-imidazo[1,2-a]pyridin-8-ylethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NC(CO[Si](C)(C)C(C)(C)C)c1cccn2ccnc12.
What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxy-1-imidazo[1,2-a]pyridin-8-ylethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is BJHWRLRTXAQCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2SSi/c1-18(2,3)25(23)21-16(14-24-26(7,8)19(4,5)6)15-10-9-12-22-13-11-20-17(15)22/h9-13,16,21H,14H2,1-8H3.
What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxy-1-imidazo[1,2-a]pyridin-8-ylethyl]-2-methylpropane-2-sulfinamide?
N-[2-[tert-butyl(dimethyl)silyl]oxy-1-imidazo[1,2-a]pyridin-8-ylethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 395.65 g/mol, XLogP of 4.45, 6 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-imidazo[1,2-a]pyridin-8-ylethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 140960913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).