(4R)-4-[(S)-fluoro(phenylsulfanyl)methyl]spiro[1,3-dioxolane-2,2'-adamantane]

C19H23FO2S — CID 101341051

IUPAC(4R)-4-[(S)-fluoro(phenylsulfanyl)methyl]spiro[1,3-dioxolane-2,2'-adamantane]
SMILESF[C@@H](Sc1ccccc1)[C@H]1COC2(O1)C1CC3CC(C1)CC2C3
InChIInChI=1S/C19H23FO2S/c20-18(23-16-4-2-1-3-5-16)17-11-21-19(22-17)14-7-12-6-13(9-14)10-15(19)8-12/h1-5,12-15,17-18H,6-11H2/t12?,13?,14?,15?,17-,18+,19?/m1/s1
InChIKeyLVDGNYGLEXGBPA-RJEDEMBSSA-N
MW334.46 g/mol
LogP4.64
Rot. Bonds3

About (4R)-4-[(S)-fluoro(phenylsulfanyl)methyl]spiro[1,3-dioxolane-2,2'-adamantane]

(4R)-4-[(S)-fluoro(phenylsulfanyl)methyl]spiro[1,3-dioxolane-2,2'-adamantane] (PubChem CID 101341051) has the molecular formula C19H23FO2S and a molecular weight of 334.46 g/mol. Its IUPAC name is (4R)-4-[(S)-fluoro(phenylsulfanyl)methyl]spiro[1,3-dioxolane-2,2'-adamantane].

Molecular Properties

Compound Name(4R)-4-[(S)-fluoro(phenylsulfanyl)methyl]spiro[1,3-dioxolane-2,2'-adamantane]
PubChem CID101341051
Molecular FormulaC19H23FO2S
Molecular Weight334.46 g/mol
Exact Mass334.14
IUPAC Name(4R)-4-[(S)-fluoro(phenylsulfanyl)methyl]spiro[1,3-dioxolane-2,2'-adamantane]
SMILESF[C@@H](Sc1ccccc1)[C@H]1COC2(O1)C1CC3CC(C1)CC2C3
InChIInChI=1S/C19H23FO2S/c20-18(23-16-4-2-1-3-5-16)17-11-21-19(22-17)14-7-12-6-13(9-14)10-15(19)8-12/h1-5,12-15,17-18H,6-11H2/t12?,13?,14?,15?,17-,18+,19?/m1/s1
InChIKeyLVDGNYGLEXGBPA-RJEDEMBSSA-N
XLogP4.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-4-[(S)-fluoro(phenylsulfanyl)methyl]spiro[1,3-dioxolane-2,2'-adamantane] 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

6-(Benzenesulfonylmethyl)-6-methyl-spiro[1,2,4-trioxane-3,2'-adamantane]
CID 11337920
CID 9979435
CID 9979435
6-Methyl-6-(phenylsulfanylmethyl)spiro[1,2,4-trioxane-3,2'-adamantane]
CID 11279444
6-(Benzenesulfinylmethyl)-6-methylspiro[1,2,4-trioxane-3,2'-adamantane]
CID 60052633
8-(Phenylsulfanylmethyl)-1,4-dioxaspiro[4.5]decane
CID 167321807
[4-(2-Adamantyloxymethoxy)cyclohexa-1,3-dien-1-yl]-diphenylsulfanium
CID 176774424
4-(Phenylsulfanylmethyl)spiro[1,3-dioxolane-2,2'-adamantane]
CID 101198690
(4R)-4-(phenylsulfanylmethyl)spiro[1,3-dioxolane-2,2'-adamantane]
CID 101341050
(3'S,5'R)-1'-(4-methylsulfanylphenyl)spiro[1,3-dioxolane-2,4'-adamantane]
CID 102129805
2-[4-(Benzenesulfonyl)butoxy]adamantane
CID 158772615

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(S)-fluoro(phenylsulfanyl)methyl]spiro[1,3-dioxolane-2,2'-adamantane]?
The IUPAC name of (4R)-4-[(S)-fluoro(phenylsulfanyl)methyl]spiro[1,3-dioxolane-2,2'-adamantane] (CID 101341051) is (4R)-4-[(S)-fluoro(phenylsulfanyl)methyl]spiro[1,3-dioxolane-2,2'-adamantane].
What is the SMILES notation for (4R)-4-[(S)-fluoro(phenylsulfanyl)methyl]spiro[1,3-dioxolane-2,2'-adamantane]?
The canonical SMILES for (4R)-4-[(S)-fluoro(phenylsulfanyl)methyl]spiro[1,3-dioxolane-2,2'-adamantane] is F[C@@H](Sc1ccccc1)[C@H]1COC2(O1)C1CC3CC(C1)CC2C3.
What is the InChIKey of (4R)-4-[(S)-fluoro(phenylsulfanyl)methyl]spiro[1,3-dioxolane-2,2'-adamantane]?
The InChIKey is LVDGNYGLEXGBPA-RJEDEMBSSA-N. The full InChI is InChI=1S/C19H23FO2S/c20-18(23-16-4-2-1-3-5-16)17-11-21-19(22-17)14-7-12-6-13(9-14)10-15(19)8-12/h1-5,12-15,17-18H,6-11H2/t12?,13?,14?,15?,17-,18+,19?/m1/s1.
What are the key properties of (4R)-4-[(S)-fluoro(phenylsulfanyl)methyl]spiro[1,3-dioxolane-2,2'-adamantane]?
(4R)-4-[(S)-fluoro(phenylsulfanyl)methyl]spiro[1,3-dioxolane-2,2'-adamantane] has a molecular weight of 334.46 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(S)-fluoro(phenylsulfanyl)methyl]spiro[1,3-dioxolane-2,2'-adamantane] is sourced from PubChem (CID 101341051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).