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

C17H26N2O3S — CID 165479130

IUPACtert-butyl 2-(7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-yl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(C2(C)NCCc3ccsc32)C1
InChIInChI=1S/C17H26N2O3S/c1-16(2,3)22-15(20)19-8-9-21-13(11-19)17(4)14-12(5-7-18-17)6-10-23-14/h6,10,13,18H,5,7-9,11H2,1-4H3
InChIKeyADSQCTPSZSDWPU-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.74
Rot. Bonds1

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

tert-butyl 2-(7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-yl)morpholine-4-carboxylate (PubChem CID 165479130) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is tert-butyl 2-(7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-yl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-yl)morpholine-4-carboxylate
PubChem CID165479130
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Nametert-butyl 2-(7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-yl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(C2(C)NCCc3ccsc32)C1
InChIInChI=1S/C17H26N2O3S/c1-16(2,3)22-15(20)19-8-9-21-13(11-19)17(4)14-12(5-7-18-17)6-10-23-14/h6,10,13,18H,5,7-9,11H2,1-4H3
InChIKeyADSQCTPSZSDWPU-UHFFFAOYSA-N
XLogP2.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholine-4-carboxylate
CID 172906467
tert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;ethane
CID 144594462
tert-butyl 2-phenylmorpholine-4-carboxylate
CID 58315777
tert-butyl spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxylate
CID 169138473
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
tert-butyl 5-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,3'-pyrrolidine]-1'-carboxylate
CID 165438476
tert-butyl 10-methyl-3-thia-9,12-diazatricyclo[7.4.0.02,6]trideca-2(6),4-diene-12-carboxylate
CID 171786801
tert-butyl (2'S,7S)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylate
CID 169140447
5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-7-carboxylic acid
CID 71305662
tert-butyl 4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate
CID 141432076
(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 35549476
tert-butyl (2S)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-4-carboxylate
CID 124635561

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-yl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-(7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-yl)morpholine-4-carboxylate (CID 165479130) is tert-butyl 2-(7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-yl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-(7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-yl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-(7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-yl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(C2(C)NCCc3ccsc32)C1.
What is the InChIKey of tert-butyl 2-(7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-yl)morpholine-4-carboxylate?
The InChIKey is ADSQCTPSZSDWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-16(2,3)22-15(20)19-8-9-21-13(11-19)17(4)14-12(5-7-18-17)6-10-23-14/h6,10,13,18H,5,7-9,11H2,1-4H3.
What are the key properties of tert-butyl 2-(7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-yl)morpholine-4-carboxylate?
tert-butyl 2-(7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-yl)morpholine-4-carboxylate has a molecular weight of 338.47 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-yl)morpholine-4-carboxylate is sourced from PubChem (CID 165479130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).