(4-methylsulfonylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone

C16H20O4S — CID 115783940

IUPAC(4-methylsulfonylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)C2CCOC3(CCC3)C2)cc1
InChIInChI=1S/C16H20O4S/c1-21(18,19)14-5-3-12(4-6-14)15(17)13-7-10-20-16(11-13)8-2-9-16/h3-6,13H,2,7-11H2,1H3
InChIKeyZWYMDEMZICWBKC-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.62
Rot. Bonds3

About (4-methylsulfonylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone

(4-methylsulfonylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone (PubChem CID 115783940) has the molecular formula C16H20O4S and a molecular weight of 308.40 g/mol. Its IUPAC name is (4-methylsulfonylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone.

Molecular Properties

Compound Name(4-methylsulfonylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
PubChem CID115783940
Molecular FormulaC16H20O4S
Molecular Weight308.40 g/mol
Exact Mass308.11
IUPAC Name(4-methylsulfonylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)C2CCOC3(CCC3)C2)cc1
InChIInChI=1S/C16H20O4S/c1-21(18,19)14-5-3-12(4-6-14)15(17)13-7-10-20-16(11-13)8-2-9-16/h3-6,13H,2,7-11H2,1H3
InChIKeyZWYMDEMZICWBKC-UHFFFAOYSA-N
XLogP2.62
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methylsulfonylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone 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

(4-methoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79913550
(4-methylsulfanylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787795
(4-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79912669
(4-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787374
6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone
CID 79912789
cyclobutyl-(4-methylsulfonylphenyl)methanone
CID 82497049
naphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79908870
(3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79912683
N-(4-methylsulfonylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898235
5-oxaspiro[3.5]nonan-8-yl(pyridazin-4-yl)methanone
CID 105115605
[4-(2-aminoethyl)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 116577640
2,3-dihydro-1H-isoindol-5-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116612912

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The IUPAC name of (4-methylsulfonylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone (CID 115783940) is (4-methylsulfonylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone.
What is the SMILES notation for (4-methylsulfonylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The canonical SMILES for (4-methylsulfonylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone is CS(=O)(=O)c1ccc(C(=O)C2CCOC3(CCC3)C2)cc1.
What is the InChIKey of (4-methylsulfonylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The InChIKey is ZWYMDEMZICWBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4S/c1-21(18,19)14-5-3-12(4-6-14)15(17)13-7-10-20-16(11-13)8-2-9-16/h3-6,13H,2,7-11H2,1H3.
What are the key properties of (4-methylsulfonylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
(4-methylsulfonylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone has a molecular weight of 308.40 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone is sourced from PubChem (CID 115783940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).