tert-butyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholine-4-carboxylate

C17H24N2O4S — CID 172906467

IUPACtert-butyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(C(=O)N2CCc3sccc3C2)C1
InChIInChI=1S/C17H24N2O4S/c1-17(2,3)23-16(21)19-7-8-22-13(11-19)15(20)18-6-4-14-12(10-18)5-9-24-14/h5,9,13H,4,6-8,10-11H2,1-3H3
InChIKeyWMBMNDOYJVTNOW-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.27
Rot. Bonds1

About tert-butyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholine-4-carboxylate

tert-butyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholine-4-carboxylate (PubChem CID 172906467) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is tert-butyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholine-4-carboxylate
PubChem CID172906467
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Nametert-butyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(C(=O)N2CCc3sccc3C2)C1
InChIInChI=1S/C17H24N2O4S/c1-17(2,3)23-16(21)19-7-8-22-13(11-19)15(20)18-6-4-14-12(10-18)5-9-24-14/h5,9,13H,4,6-8,10-11H2,1-3H3
InChIKeyWMBMNDOYJVTNOW-UHFFFAOYSA-N
XLogP2.27
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate
CID 141432076
tert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;ethane
CID 144594462
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methanone
CID 172891941
(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 35549476
lithium (2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 134859282
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanone
CID 172881963
tert-butyl 2-(7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-yl)morpholine-4-carboxylate
CID 165479130
tert-butyl 8-oxo-6,7-dihydro-4H-thieno[3,2-c]azepine-5-carboxylate
CID 71305794
tert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate
CID 16737894
tert-butyl 2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbonyl]morpholine-4-carboxylate
CID 171493468
tert-butyl 2-(cyclopropylcarbamoyl)morpholine-4-carboxylate
CID 59494690
tert-butyl (2S)-2-[(1S)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]morpholine-4-carboxylate
CID 163402133

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholine-4-carboxylate (CID 172906467) is tert-butyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(C(=O)N2CCc3sccc3C2)C1.
What is the InChIKey of tert-butyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholine-4-carboxylate?
The InChIKey is WMBMNDOYJVTNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-17(2,3)23-16(21)19-7-8-22-13(11-19)15(20)18-6-4-14-12(10-18)5-9-24-14/h5,9,13H,4,6-8,10-11H2,1-3H3.
What are the key properties of tert-butyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholine-4-carboxylate?
tert-butyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholine-4-carboxylate has a molecular weight of 352.46 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholine-4-carboxylate is sourced from PubChem (CID 172906467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).