(9,9-dimethylfluoren-2-yl)-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanone

C23H24O3S — CID 171939533

IUPAC(9,9-dimethylfluoren-2-yl)-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanone
SMILESCC1(C)c2ccccc2-c2ccc(C(=O)C3CC4CCC(C3)S4(=O)=O)cc21
InChIInChI=1S/C23H24O3S/c1-23(2)20-6-4-3-5-18(20)19-10-7-14(13-21(19)23)22(24)15-11-16-8-9-17(12-15)27(16,25)26/h3-7,10,13,15-17H,8-9,11-12H2,1-2H3
InChIKeyUVKUYUMISDXFMB-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.53
Rot. Bonds2

About (9,9-dimethylfluoren-2-yl)-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanone

(9,9-dimethylfluoren-2-yl)-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171939533) has the molecular formula C23H24O3S and a molecular weight of 380.51 g/mol. Its IUPAC name is (9,9-dimethylfluoren-2-yl)-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(9,9-dimethylfluoren-2-yl)-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171939533
Molecular FormulaC23H24O3S
Molecular Weight380.51 g/mol
Exact Mass380.14
IUPAC Name(9,9-dimethylfluoren-2-yl)-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanone
SMILESCC1(C)c2ccccc2-c2ccc(C(=O)C3CC4CCC(C3)S4(=O)=O)cc21
InChIInChI=1S/C23H24O3S/c1-23(2)20-6-4-3-5-18(20)19-10-7-14(13-21(19)23)22(24)15-11-16-8-9-17(12-15)27(16,25)26/h3-7,10,13,15-17H,8-9,11-12H2,1-2H3
InChIKeyUVKUYUMISDXFMB-UHFFFAOYSA-N
XLogP4.53
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9,9-dimethylfluoren-2-yl)-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (9,9-dimethylfluoren-2-yl)-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanone (CID 171939533) is (9,9-dimethylfluoren-2-yl)-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (9,9-dimethylfluoren-2-yl)-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (9,9-dimethylfluoren-2-yl)-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanone is CC1(C)c2ccccc2-c2ccc(C(=O)C3CC4CCC(C3)S4(=O)=O)cc21.
What is the InChIKey of (9,9-dimethylfluoren-2-yl)-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is UVKUYUMISDXFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3S/c1-23(2)20-6-4-3-5-18(20)19-10-7-14(13-21(19)23)22(24)15-11-16-8-9-17(12-15)27(16,25)26/h3-7,10,13,15-17H,8-9,11-12H2,1-2H3.
What are the key properties of (9,9-dimethylfluoren-2-yl)-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanone?
(9,9-dimethylfluoren-2-yl)-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 380.51 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9,9-dimethylfluoren-2-yl)-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171939533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).