methyl 3-(tert-butylsulfinylamino)-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoate

C16H26N2O4S — CID 134500574

IUPACmethyl 3-(tert-butylsulfinylamino)-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)C(NS(=O)C(C)(C)C)c1ccc(OC)nc1
InChIInChI=1S/C16H26N2O4S/c1-15(2,3)23(20)18-13(16(4,5)14(19)22-7)11-8-9-12(21-6)17-10-11/h8-10,13,18H,1-7H3
InChIKeyAPPLXZUJRMAZPK-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.38
Rot. Bonds6

About methyl 3-(tert-butylsulfinylamino)-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoate

methyl 3-(tert-butylsulfinylamino)-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoate (PubChem CID 134500574) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is methyl 3-(tert-butylsulfinylamino)-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(tert-butylsulfinylamino)-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoate
PubChem CID134500574
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Namemethyl 3-(tert-butylsulfinylamino)-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)C(NS(=O)C(C)(C)C)c1ccc(OC)nc1
InChIInChI=1S/C16H26N2O4S/c1-15(2,3)23(20)18-13(16(4,5)14(19)22-7)11-8-9-12(21-6)17-10-11/h8-10,13,18H,1-7H3
InChIKeyAPPLXZUJRMAZPK-UHFFFAOYSA-N
XLogP2.38
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-(tert-butylsulfinylamino)-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoate with MolForge

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Related Compounds

(S)-2-methyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]propane-2-sulfinamide
CID 156777027
3-hydroxy-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoic acid
CID 114938478
(S)-2-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)propyl]propane-2-sulfinamide
CID 67521466
methyl 2-(6-methoxy-3-pyridinyl)-2-methylpropanoate
CID 150017667
(R)-N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
CID 67509758
1-(6-methoxy-3-pyridinyl)-2-methylpropane-1,2-diol
CID 58380617
N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(6-propoxy-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 78034981
methyl 2,3-dihydroxy-3-(6-methoxy-3-pyridinyl)propanoate
CID 171863841
(R)-2-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide
CID 67509888
2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide
CID 87426537
ethyl (2R)-2-(tert-butylsulfinylamino)-2-(4-methylphenyl)acetate
CID 102471388
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 7016830

Frequently Asked Questions

What is the IUPAC name of methyl 3-(tert-butylsulfinylamino)-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(tert-butylsulfinylamino)-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoate (CID 134500574) is methyl 3-(tert-butylsulfinylamino)-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(tert-butylsulfinylamino)-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(tert-butylsulfinylamino)-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoate is COC(=O)C(C)(C)C(NS(=O)C(C)(C)C)c1ccc(OC)nc1.
What is the InChIKey of methyl 3-(tert-butylsulfinylamino)-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoate?
The InChIKey is APPLXZUJRMAZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-15(2,3)23(20)18-13(16(4,5)14(19)22-7)11-8-9-12(21-6)17-10-11/h8-10,13,18H,1-7H3.
What are the key properties of methyl 3-(tert-butylsulfinylamino)-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoate?
methyl 3-(tert-butylsulfinylamino)-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoate has a molecular weight of 342.46 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(tert-butylsulfinylamino)-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoate is sourced from PubChem (CID 134500574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).