tert-butyl 3-(2-methylsulfinylthieno[2,3-b]pyridine-3-carbonyl)azetidine-1-carboxylate

C17H20N2O4S2 — CID 68515901

IUPACtert-butyl 3-(2-methylsulfinylthieno[2,3-b]pyridine-3-carbonyl)azetidine-1-carboxylate
SMILESCS(=O)c1sc2ncccc2c1C(=O)C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H20N2O4S2/c1-17(2,3)23-16(21)19-8-10(9-19)13(20)12-11-6-5-7-18-14(11)24-15(12)25(4)22/h5-7,10H,8-9H2,1-4H3
InChIKeySUQWBDXWFRZDHZ-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.08
Rot. Bonds3

About tert-butyl 3-(2-methylsulfinylthieno[2,3-b]pyridine-3-carbonyl)azetidine-1-carboxylate

tert-butyl 3-(2-methylsulfinylthieno[2,3-b]pyridine-3-carbonyl)azetidine-1-carboxylate (PubChem CID 68515901) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is tert-butyl 3-(2-methylsulfinylthieno[2,3-b]pyridine-3-carbonyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-methylsulfinylthieno[2,3-b]pyridine-3-carbonyl)azetidine-1-carboxylate
PubChem CID68515901
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Nametert-butyl 3-(2-methylsulfinylthieno[2,3-b]pyridine-3-carbonyl)azetidine-1-carboxylate
SMILESCS(=O)c1sc2ncccc2c1C(=O)C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H20N2O4S2/c1-17(2,3)23-16(21)19-8-10(9-19)13(20)12-11-6-5-7-18-14(11)24-15(12)25(4)22/h5-7,10H,8-9H2,1-4H3
InChIKeySUQWBDXWFRZDHZ-UHFFFAOYSA-N
XLogP3.08
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 2-(2-methylsulfinylthieno[2,3-b]pyridine-3-carbonyl)pyrrolidine-1-carboxylate
CID 68521240
tert-butyl 4-thieno[2,3-b]pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 139630002
tert-butyl 5-amino-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
CID 71700032
tert-butyl 3,5-dimethyl-4-pyrimidin-2-ylpiperazine-1-carboxylate
CID 59406986
tert-butyl (3aS,6aR)-2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 124585586
tert-butyl 4-oxo-3-(pyrimidine-2-carbonyl)piperidine-1-carboxylate
CID 67382864
tert-butyl 3-(1,8-naphthyridin-2-yl)azetidine-1-carboxylate
CID 66641449
tert-butyl (1S,5R)-6-(thiophene-2-carbonyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 175855149
tert-butyl 2-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 74946314
tert-butyl (3R)-3-(pyridine-3-carbonyl)piperidine-1-carboxylate
CID 16671359
tert-butyl 3-(3-phenyl-2-pyridinyl)azetidine-1-carboxylate
CID 58547347
tert-butyl 3-(2-pyrimidin-2-ylethyl)azetidine-1-carboxylate
CID 152975023

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-methylsulfinylthieno[2,3-b]pyridine-3-carbonyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-methylsulfinylthieno[2,3-b]pyridine-3-carbonyl)azetidine-1-carboxylate (CID 68515901) is tert-butyl 3-(2-methylsulfinylthieno[2,3-b]pyridine-3-carbonyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-methylsulfinylthieno[2,3-b]pyridine-3-carbonyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-methylsulfinylthieno[2,3-b]pyridine-3-carbonyl)azetidine-1-carboxylate is CS(=O)c1sc2ncccc2c1C(=O)C1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(2-methylsulfinylthieno[2,3-b]pyridine-3-carbonyl)azetidine-1-carboxylate?
The InChIKey is SUQWBDXWFRZDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-17(2,3)23-16(21)19-8-10(9-19)13(20)12-11-6-5-7-18-14(11)24-15(12)25(4)22/h5-7,10H,8-9H2,1-4H3.
What are the key properties of tert-butyl 3-(2-methylsulfinylthieno[2,3-b]pyridine-3-carbonyl)azetidine-1-carboxylate?
tert-butyl 3-(2-methylsulfinylthieno[2,3-b]pyridine-3-carbonyl)azetidine-1-carboxylate has a molecular weight of 380.49 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-methylsulfinylthieno[2,3-b]pyridine-3-carbonyl)azetidine-1-carboxylate is sourced from PubChem (CID 68515901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).