tert-butyl 4-methylsulfonyloxy-3,6-dihydro-2H-pyridine-1-carboxylate

C11H19NO5S — CID 58374576

IUPACtert-butyl 4-methylsulfonyloxy-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(OS(C)(=O)=O)CC1
InChIInChI=1S/C11H19NO5S/c1-11(2,3)16-10(13)12-7-5-9(6-8-12)17-18(4,14)15/h5H,6-8H2,1-4H3
InChIKeyYAYOMXCGTZXGCW-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.49
Rot. Bonds2

About tert-butyl 4-methylsulfonyloxy-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-methylsulfonyloxy-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 58374576) has the molecular formula C11H19NO5S and a molecular weight of 277.34 g/mol. Its IUPAC name is tert-butyl 4-methylsulfonyloxy-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methylsulfonyloxy-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID58374576
Molecular FormulaC11H19NO5S
Molecular Weight277.34 g/mol
Exact Mass277.10
IUPAC Nametert-butyl 4-methylsulfonyloxy-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(OS(C)(=O)=O)CC1
InChIInChI=1S/C11H19NO5S/c1-11(2,3)16-10(13)12-7-5-9(6-8-12)17-18(4,14)15/h5H,6-8H2,1-4H3
InChIKeyYAYOMXCGTZXGCW-UHFFFAOYSA-N
XLogP1.49
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-stannyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 174476603
2,3-dimethylbutane-2,3-diol;[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]oxyboronic acid
CID 175463711
tert-butyl 4-dimethylphosphoryl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 154727855
tert-butyl 4-(1-aminoethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 105484057
tert-butyl 3-methylsulfonyl-2,5-dihydropyrrole-1-carboxylate
CID 170718382
tert-butyl 4-[4-(4-methylsulfonylphenoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 46199747
tert-butyl 4-(2-sulfanylethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 117205631
tert-butyl 4-[amino(fluoro)methyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 105488112
tert-butyl 4-(1-methylsulfanylethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 129128688
ethane;phenyl 4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 90990755
tert-butyl 4-(4,4-dimethyl-1,3,2-dioxaboretan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58946489
tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane
CID 142992969

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methylsulfonyloxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-methylsulfonyloxy-3,6-dihydro-2H-pyridine-1-carboxylate (CID 58374576) is tert-butyl 4-methylsulfonyloxy-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methylsulfonyloxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methylsulfonyloxy-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC=C(OS(C)(=O)=O)CC1.
What is the InChIKey of tert-butyl 4-methylsulfonyloxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is YAYOMXCGTZXGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S/c1-11(2,3)16-10(13)12-7-5-9(6-8-12)17-18(4,14)15/h5H,6-8H2,1-4H3.
What are the key properties of tert-butyl 4-methylsulfonyloxy-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-methylsulfonyloxy-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 277.34 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methylsulfonyloxy-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 58374576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).