3-[2-(6-oxa-2-thiaspiro[4.5]decan-9-ylidene)propyl]morpholine

C15H25NO2S — CID 104855452

IUPAC3-[2-(6-oxa-2-thiaspiro[4.5]decan-9-ylidene)propyl]morpholine
SMILESCC(CC1COCCN1)=C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H25NO2S/c1-12(8-14-10-17-6-4-16-14)13-2-5-18-15(9-13)3-7-19-11-15/h14,16H,2-11H2,1H3
InChIKeySLUIKCUGENYVCW-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.37
Rot. Bonds2

About 3-[2-(6-oxa-2-thiaspiro[4.5]decan-9-ylidene)propyl]morpholine

3-[2-(6-oxa-2-thiaspiro[4.5]decan-9-ylidene)propyl]morpholine (PubChem CID 104855452) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-[2-(6-oxa-2-thiaspiro[4.5]decan-9-ylidene)propyl]morpholine.

Molecular Properties

Compound Name3-[2-(6-oxa-2-thiaspiro[4.5]decan-9-ylidene)propyl]morpholine
PubChem CID104855452
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name3-[2-(6-oxa-2-thiaspiro[4.5]decan-9-ylidene)propyl]morpholine
SMILESCC(CC1COCCN1)=C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H25NO2S/c1-12(8-14-10-17-6-4-16-14)13-2-5-18-15(9-13)3-7-19-11-15/h14,16H,2-11H2,1H3
InChIKeySLUIKCUGENYVCW-UHFFFAOYSA-N
XLogP2.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

9-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-6-oxa-2-thiaspiro[4.5]decane
CID 171113626
3-[2-(2-ethylcyclohexylidene)propyl]morpholine
CID 113462307
3-(2,3-dimethylhex-2-enyl)morpholine
CID 107889216
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-morpholin-3-ylacetamide
CID 105417370
3-methyl-1-morpholin-3-ylbut-3-en-2-one
CID 116595710
3-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol
CID 114240710
2-morpholin-3-ylacetic acid;hydrochloride
CID 13099576
2-[(3S)-morpholin-3-yl]acetamide
CID 96824646
1-(5-methylthiophen-3-yl)-2-morpholin-3-ylethanone
CID 116595850
1-(2-methoxy-4,5-dimethylphenyl)-2-morpholin-3-ylethanone
CID 116919891
N-[(4-hydroxyoxan-4-yl)methyl]-2-morpholin-3-ylacetamide
CID 81130635
1-(5-bromo-2-methylphenyl)-2-morpholin-3-ylethanone
CID 116919919

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-oxa-2-thiaspiro[4.5]decan-9-ylidene)propyl]morpholine?
The IUPAC name of 3-[2-(6-oxa-2-thiaspiro[4.5]decan-9-ylidene)propyl]morpholine (CID 104855452) is 3-[2-(6-oxa-2-thiaspiro[4.5]decan-9-ylidene)propyl]morpholine.
What is the SMILES notation for 3-[2-(6-oxa-2-thiaspiro[4.5]decan-9-ylidene)propyl]morpholine?
The canonical SMILES for 3-[2-(6-oxa-2-thiaspiro[4.5]decan-9-ylidene)propyl]morpholine is CC(CC1COCCN1)=C1CCOC2(CCSC2)C1.
What is the InChIKey of 3-[2-(6-oxa-2-thiaspiro[4.5]decan-9-ylidene)propyl]morpholine?
The InChIKey is SLUIKCUGENYVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-12(8-14-10-17-6-4-16-14)13-2-5-18-15(9-13)3-7-19-11-15/h14,16H,2-11H2,1H3.
What are the key properties of 3-[2-(6-oxa-2-thiaspiro[4.5]decan-9-ylidene)propyl]morpholine?
3-[2-(6-oxa-2-thiaspiro[4.5]decan-9-ylidene)propyl]morpholine has a molecular weight of 283.44 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-oxa-2-thiaspiro[4.5]decan-9-ylidene)propyl]morpholine is sourced from PubChem (CID 104855452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).