(1'R,3'R)-3'-methyl-1'-oxospiro[fluorene-9,2'-thiane]-4'-one

C18H16O2S — CID 11923571

IUPAC(1'R,3'R)-3'-methyl-1'-oxospiro[fluorene-9,2'-thiane]-4'-one
SMILESC[C@@H]1C(=O)CC[S@@](=O)C12c1ccccc1-c1ccccc12
InChIInChI=1S/C18H16O2S/c1-12-17(19)10-11-21(20)18(12)15-8-4-2-6-13(15)14-7-3-5-9-16(14)18/h2-9,12H,10-11H2,1H3/t12-,21-/m1/s1
InChIKeyYWWXCFUOSOSNRR-XUSGNXJCSA-N
MW296.39 g/mol
LogP3.27
Rot. Bonds

About (1'R,3'R)-3'-methyl-1'-oxospiro[fluorene-9,2'-thiane]-4'-one

(1'R,3'R)-3'-methyl-1'-oxospiro[fluorene-9,2'-thiane]-4'-one (PubChem CID 11923571) has the molecular formula C18H16O2S and a molecular weight of 296.39 g/mol. Its IUPAC name is (1'R,3'R)-3'-methyl-1'-oxospiro[fluorene-9,2'-thiane]-4'-one.

Molecular Properties

Compound Name(1'R,3'R)-3'-methyl-1'-oxospiro[fluorene-9,2'-thiane]-4'-one
PubChem CID11923571
Molecular FormulaC18H16O2S
Molecular Weight296.39 g/mol
Exact Mass296.09
IUPAC Name(1'R,3'R)-3'-methyl-1'-oxospiro[fluorene-9,2'-thiane]-4'-one
SMILESC[C@@H]1C(=O)CC[S@@](=O)C12c1ccccc1-c1ccccc12
InChIInChI=1S/C18H16O2S/c1-12-17(19)10-11-21(20)18(12)15-8-4-2-6-13(15)14-7-3-5-9-16(14)18/h2-9,12H,10-11H2,1H3/t12-,21-/m1/s1
InChIKeyYWWXCFUOSOSNRR-XUSGNXJCSA-N
XLogP3.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2,3,3-trimethyl-2H-inden-1-one
CID 76958281
3-dimethoxyphosphoryl-3-hydroxy-2-methyl-2H-inden-1-one
CID 23264832
2,2-difluoro-3-methyl-3H-inden-1-one
CID 130383048
(2'R,4'S)-2',3',4'-trimethylspiro[2H-indene-3,1'-cyclobutane]-1-one
CID 135173286
(3'R)-3'-methylspiro[fluorene-9,2'-oxirane]
CID 101107078
(2R,3R,4S,5S)-2,3,4,5-tetramethylspiro[cyclopentane-1,9'-fluorene]
CID 153440114
4-[9-(4-hydroxy-3,5-dimethylcyclohexyl)fluoren-9-yl]-2,6-dimethylcyclohexan-1-ol
CID 139824851
3-(9,9-dimethylfluoren-2-yl)-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol
CID 171953749
2,3-dimethyl-3-phenylcyclobutan-1-one
CID 131076191
4-bromo-3-methyl-4-nitro-2,3-dihydronaphthalen-1-one
CID 5249228
4,4-dimethyl-2-methylidene-3H-naphthalen-1-one
CID 57081376
(3R,4R)-3,4-dimethyl-4-phenyl-2,3-dihydronaphthalen-1-one
CID 125117217

Frequently Asked Questions

What is the IUPAC name of (1'R,3'R)-3'-methyl-1'-oxospiro[fluorene-9,2'-thiane]-4'-one?
The IUPAC name of (1'R,3'R)-3'-methyl-1'-oxospiro[fluorene-9,2'-thiane]-4'-one (CID 11923571) is (1'R,3'R)-3'-methyl-1'-oxospiro[fluorene-9,2'-thiane]-4'-one.
What is the SMILES notation for (1'R,3'R)-3'-methyl-1'-oxospiro[fluorene-9,2'-thiane]-4'-one?
The canonical SMILES for (1'R,3'R)-3'-methyl-1'-oxospiro[fluorene-9,2'-thiane]-4'-one is C[C@@H]1C(=O)CC[S@@](=O)C12c1ccccc1-c1ccccc12.
What is the InChIKey of (1'R,3'R)-3'-methyl-1'-oxospiro[fluorene-9,2'-thiane]-4'-one?
The InChIKey is YWWXCFUOSOSNRR-XUSGNXJCSA-N. The full InChI is InChI=1S/C18H16O2S/c1-12-17(19)10-11-21(20)18(12)15-8-4-2-6-13(15)14-7-3-5-9-16(14)18/h2-9,12H,10-11H2,1H3/t12-,21-/m1/s1.
What are the key properties of (1'R,3'R)-3'-methyl-1'-oxospiro[fluorene-9,2'-thiane]-4'-one?
(1'R,3'R)-3'-methyl-1'-oxospiro[fluorene-9,2'-thiane]-4'-one has a molecular weight of 296.39 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,3'R)-3'-methyl-1'-oxospiro[fluorene-9,2'-thiane]-4'-one is sourced from PubChem (CID 11923571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).