1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl-(4-phenyloxan-4-yl)methanone

C19H25NO3S — CID 56764661

IUPAC1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl-(4-phenyloxan-4-yl)methanone
SMILESO=C(N1CCC2(CC1)OCCS2)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H25NO3S/c21-17(20-10-6-19(7-11-20)23-14-15-24-19)18(8-12-22-13-9-18)16-4-2-1-3-5-16/h1-5H,6-15H2
InChIKeyRSYWEBKZJFISRI-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.82
Rot. Bonds2

About 1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl-(4-phenyloxan-4-yl)methanone

1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl-(4-phenyloxan-4-yl)methanone (PubChem CID 56764661) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl-(4-phenyloxan-4-yl)methanone.

Molecular Properties

Compound Name1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl-(4-phenyloxan-4-yl)methanone
PubChem CID56764661
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl-(4-phenyloxan-4-yl)methanone
SMILESO=C(N1CCC2(CC1)OCCS2)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H25NO3S/c21-17(20-10-6-19(7-11-20)23-14-15-24-19)18(8-12-22-13-9-18)16-4-2-1-3-5-16/h1-5H,6-15H2
InChIKeyRSYWEBKZJFISRI-UHFFFAOYSA-N
XLogP2.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl-(4-phenyloxan-4-yl)methanone?
The IUPAC name of 1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl-(4-phenyloxan-4-yl)methanone (CID 56764661) is 1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl-(4-phenyloxan-4-yl)methanone.
What is the SMILES notation for 1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl-(4-phenyloxan-4-yl)methanone?
The canonical SMILES for 1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl-(4-phenyloxan-4-yl)methanone is O=C(N1CCC2(CC1)OCCS2)C1(c2ccccc2)CCOCC1.
What is the InChIKey of 1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl-(4-phenyloxan-4-yl)methanone?
The InChIKey is RSYWEBKZJFISRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c21-17(20-10-6-19(7-11-20)23-14-15-24-19)18(8-12-22-13-9-18)16-4-2-1-3-5-16/h1-5H,6-15H2.
What are the key properties of 1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl-(4-phenyloxan-4-yl)methanone?
1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl-(4-phenyloxan-4-yl)methanone has a molecular weight of 347.48 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl-(4-phenyloxan-4-yl)methanone is sourced from PubChem (CID 56764661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).