[(6S)-11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone

C19H23N3O2S — CID 97494683

IUPAC[(6S)-11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC[C@@]2(COCCN(c3cccnc3)C2)C1
InChIInChI=1S/C19H23N3O2S/c23-18(16-4-10-25-12-16)22-7-2-5-19(14-22)13-21(8-9-24-15-19)17-3-1-6-20-11-17/h1,3-4,6,10-12H,2,5,7-9,13-15H2/t19-/m0/s1
InChIKeyCQLCGURDGPVMEX-IBGZPJMESA-N
MW357.48 g/mol
LogP2.90
Rot. Bonds2

About [(6S)-11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone

[(6S)-11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone (PubChem CID 97494683) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is [(6S)-11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[(6S)-11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone
PubChem CID97494683
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name[(6S)-11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC[C@@]2(COCCN(c3cccnc3)C2)C1
InChIInChI=1S/C19H23N3O2S/c23-18(16-4-10-25-12-16)22-7-2-5-19(14-22)13-21(8-9-24-15-19)17-3-1-6-20-11-17/h1,3-4,6,10-12H,2,5,7-9,13-15H2/t19-/m0/s1
InChIKeyCQLCGURDGPVMEX-IBGZPJMESA-N
XLogP2.90
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopentyl-(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134072825
pyrazin-2-yl-(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155853029
(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-8-ylmethanone
CID 134072815
pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134072843
(2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-thiophen-3-ylmethanone
CID 131642549
[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone
CID 97450078
[11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone
CID 131661217
[(6S)-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-2-ylmethanone
CID 97372929
3-[2-(6-methylpyridine-3-carbonyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]benzonitrile
CID 155874159
[(2R)-oxolan-2-yl]-[(6S)-11-phenyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97494631
(1-methylpyrrol-2-yl)-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 131654156
(6R)-11-pyridin-3-yl-2-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97372839

Frequently Asked Questions

What is the IUPAC name of [(6S)-11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone?
The IUPAC name of [(6S)-11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone (CID 97494683) is [(6S)-11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [(6S)-11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [(6S)-11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCC[C@@]2(COCCN(c3cccnc3)C2)C1.
What is the InChIKey of [(6S)-11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone?
The InChIKey is CQLCGURDGPVMEX-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23N3O2S/c23-18(16-4-10-25-12-16)22-7-2-5-19(14-22)13-21(8-9-24-15-19)17-3-1-6-20-11-17/h1,3-4,6,10-12H,2,5,7-9,13-15H2/t19-/m0/s1.
What are the key properties of [(6S)-11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone?
[(6S)-11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone has a molecular weight of 357.48 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 97494683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).