[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone

C19H26N2O3S — CID 163311432

IUPAC[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone
SMILESO=C(c1cc2c(s1)CCOC21CCNCC1)N1[C@@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C19H26N2O3S/c22-14-9-12-1-2-13(10-14)21(12)18(23)17-11-15-16(25-17)3-8-24-19(15)4-6-20-7-5-19/h11-14,20,22H,1-10H2/t12-,13+,14?
InChIKeySOCKNYKCEZUKJD-PBWFPOADSA-N
MW362.50 g/mol
LogP2.03
Rot. Bonds1

About [(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone

[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone (PubChem CID 163311432) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is [(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone.

Molecular Properties

Compound Name[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone
PubChem CID163311432
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone
SMILESO=C(c1cc2c(s1)CCOC21CCNCC1)N1[C@@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C19H26N2O3S/c22-14-9-12-1-2-13(10-14)21(12)18(23)17-11-15-16(25-17)3-8-24-19(15)4-6-20-7-5-19/h11-14,20,22H,1-10H2/t12-,13+,14?
InChIKeySOCKNYKCEZUKJD-PBWFPOADSA-N
XLogP2.03
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone with MolForge

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Related Compounds

(4-morpholin-4-ylpiperidin-1-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone
CID 163316752
(2-phenylpyrrolidin-1-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone
CID 163308963
3-methyl-1-(2-methylpropyl)-4-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carbonyl)piperazin-2-one
CID 163314518
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 63764131
2-propyl-7-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641219
N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide
CID 162635032
methyl (2S,4S)-4-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carbonylamino)pyrrolidine-2-carboxylate
CID 163319050
N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide
CID 162638620
[1'-(cyclopentylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl]-morpholin-4-ylmethanone
CID 170504531
N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide;hydrochloride
CID 154921145
N-(1,3-benzodioxol-5-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide
CID 162626832
N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide;hydrochloride
CID 154922398

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone?
The IUPAC name of [(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone (CID 163311432) is [(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone.
What is the SMILES notation for [(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone?
The canonical SMILES for [(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone is O=C(c1cc2c(s1)CCOC21CCNCC1)N1[C@@H]2CC[C@H]1CC(O)C2.
What is the InChIKey of [(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone?
The InChIKey is SOCKNYKCEZUKJD-PBWFPOADSA-N. The full InChI is InChI=1S/C19H26N2O3S/c22-14-9-12-1-2-13(10-14)21(12)18(23)17-11-15-16(25-17)3-8-24-19(15)4-6-20-7-5-19/h11-14,20,22H,1-10H2/t12-,13+,14?.
What are the key properties of [(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone?
[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone has a molecular weight of 362.50 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone is sourced from PubChem (CID 163311432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).