tert-butyl spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxylate

C16H23NO3S — CID 169138473

IUPACtert-butyl spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)OCCc1sccc12
InChIInChI=1S/C16H23NO3S/c1-15(2,3)20-14(18)17-8-6-16(7-9-17)12-5-11-21-13(12)4-10-19-16/h5,11H,4,6-10H2,1-3H3
InChIKeyAXRXXJMAYNDFFY-UHFFFAOYSA-N
MW309.43 g/mol
LogP3.55
Rot. Bonds

About tert-butyl spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxylate

tert-butyl spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxylate (PubChem CID 169138473) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is tert-butyl spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxylate
PubChem CID169138473
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Nametert-butyl spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)OCCc1sccc12
InChIInChI=1S/C16H23NO3S/c1-15(2,3)20-14(18)17-8-6-16(7-9-17)12-5-11-21-13(12)4-10-19-16/h5,11H,4,6-10H2,1-3H3
InChIKeyAXRXXJMAYNDFFY-UHFFFAOYSA-N
XLogP3.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-pyrazol-4-yl(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methanone
CID 135103946
tert-butyl 2-oxospiro[1H-4,1-benzoxazepine-5,4'-piperidine]-1'-carboxylate
CID 71305419
(4-fluoro-3-methylphenyl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone
CID 135099460
N-(3-methoxyphenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxamide
CID 135094445
tert-butyl 4-(1-benzothiophen-7-yl)-4-hydroxypiperidine-1-carboxylate
CID 12045540
tert-butyl (2'S,7S)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylate
CID 169140447
tert-butyl 4-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
CID 172575429
tert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;ethane
CID 144594462
tert-butyl (3S)-3-hydroxy-3-[2-(2-hydroxyphenyl)thiophen-3-yl]pyrrolidine-1-carboxylate
CID 124566602
tert-butyl 5-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,3'-pyrrolidine]-1'-carboxylate
CID 165438476
[3-(1H-pyrazol-4-yl)phenyl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone
CID 163309031
tert-butyl 8-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CID 99114871

Frequently Asked Questions

What is the IUPAC name of tert-butyl spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxylate (CID 169138473) is tert-butyl spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)OCCc1sccc12.
What is the InChIKey of tert-butyl spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxylate?
The InChIKey is AXRXXJMAYNDFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-15(2,3)20-14(18)17-8-6-16(7-9-17)12-5-11-21-13(12)4-10-19-16/h5,11H,4,6-10H2,1-3H3.
What are the key properties of tert-butyl spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxylate?
tert-butyl spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxylate has a molecular weight of 309.43 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 169138473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).