2-cyclohexylidene-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone

C16H24O2S — CID 103457971

IUPAC2-cyclohexylidene-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone
SMILESO=C(C=C1CCCCC1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C16H24O2S/c17-15(10-13-4-2-1-3-5-13)14-6-8-18-16(11-14)7-9-19-12-16/h10,14H,1-9,11-12H2
InChIKeyKTNHLNRTDWQFNI-UHFFFAOYSA-N
MW280.43 g/mol
LogP3.75
Rot. Bonds2

About 2-cyclohexylidene-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone

2-cyclohexylidene-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone (PubChem CID 103457971) has the molecular formula C16H24O2S and a molecular weight of 280.43 g/mol. Its IUPAC name is 2-cyclohexylidene-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexylidene-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone
PubChem CID103457971
Molecular FormulaC16H24O2S
Molecular Weight280.43 g/mol
Exact Mass280.15
IUPAC Name2-cyclohexylidene-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone
SMILESO=C(C=C1CCCCC1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C16H24O2S/c17-15(10-13-4-2-1-3-5-13)14-6-8-18-16(11-14)7-9-19-12-16/h10,14H,1-9,11-12H2
InChIKeyKTNHLNRTDWQFNI-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-cyclohexylidene-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-aminocyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 116576726
methyl 6-oxa-2-thiaspiro[4.5]decane-9-carboxylate
CID 106942420
2-(4-chlorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone
CID 79913122
(2,2-dimethylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 107003974
(2-methylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79921070
cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 80609661
cyclohexyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79913237
1-cyclooctyl-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea
CID 97234883
1-cycloheptyl-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea
CID 97235483
6-oxa-2-thiaspiro[4.5]decan-9-yl(pyrimidin-5-yl)methanone
CID 102923198
6-oxa-2-thiaspiro[4.5]decan-9-yl-(1-phenylcyclopropyl)methanone
CID 79908896
2,2,3,3-tetrafluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one
CID 114032513

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylidene-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone?
The IUPAC name of 2-cyclohexylidene-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone (CID 103457971) is 2-cyclohexylidene-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone.
What is the SMILES notation for 2-cyclohexylidene-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone?
The canonical SMILES for 2-cyclohexylidene-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone is O=C(C=C1CCCCC1)C1CCOC2(CCSC2)C1.
What is the InChIKey of 2-cyclohexylidene-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone?
The InChIKey is KTNHLNRTDWQFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2S/c17-15(10-13-4-2-1-3-5-13)14-6-8-18-16(11-14)7-9-19-12-16/h10,14H,1-9,11-12H2.
What are the key properties of 2-cyclohexylidene-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone?
2-cyclohexylidene-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone has a molecular weight of 280.43 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylidene-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone is sourced from PubChem (CID 103457971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).