(2R,3R)-2-(benzenesulfinyl)spiro[3.5]nonan-3-ol

C15H20O2S — CID 15311210

IUPAC(2R,3R)-2-(benzenesulfinyl)spiro[3.5]nonan-3-ol
SMILESO=S(c1ccccc1)[C@@H]1CC2(CCCCC2)[C@H]1O
InChIInChI=1S/C15H20O2S/c16-14-13(11-15(14)9-5-2-6-10-15)18(17)12-7-3-1-4-8-12/h1,3-4,7-8,13-14,16H,2,5-6,9-11H2/t13-,14+,18?/m1/s1
InChIKeySTFAEKWZETWNFK-RMAOKOMNSA-N
MW264.39 g/mol
LogP2.88
Rot. Bonds2

About (2R,3R)-2-(benzenesulfinyl)spiro[3.5]nonan-3-ol

(2R,3R)-2-(benzenesulfinyl)spiro[3.5]nonan-3-ol (PubChem CID 15311210) has the molecular formula C15H20O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is (2R,3R)-2-(benzenesulfinyl)spiro[3.5]nonan-3-ol.

Molecular Properties

Compound Name(2R,3R)-2-(benzenesulfinyl)spiro[3.5]nonan-3-ol
PubChem CID15311210
Molecular FormulaC15H20O2S
Molecular Weight264.39 g/mol
Exact Mass264.12
IUPAC Name(2R,3R)-2-(benzenesulfinyl)spiro[3.5]nonan-3-ol
SMILESO=S(c1ccccc1)[C@@H]1CC2(CCCCC2)[C@H]1O
InChIInChI=1S/C15H20O2S/c16-14-13(11-15(14)9-5-2-6-10-15)18(17)12-7-3-1-4-8-12/h1,3-4,7-8,13-14,16H,2,5-6,9-11H2/t13-,14+,18?/m1/s1
InChIKeySTFAEKWZETWNFK-RMAOKOMNSA-N
XLogP2.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,3R)-2-(benzenesulfinyl)spiro[3.5]nonan-3-ol 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

trans-(1R,2R)-2-(benzenesulfinyl)cycloheptan-1-ol
CID 101030162
trans-(1R,2R)-2-(benzenesulfinyl)cyclooctan-1-ol
CID 101030165
2-(benzenesulfinyl)-1-methylcyclohexan-1-ol
CID 10776334
phenyl(spiro[2.4]heptan-2-yl)methanone
CID 146164846
5-(benzenesulfinyl)-2,2-dimethylcyclopentan-1-amine
CID 79862819
1-[2-(benzenesulfinyl)-1-iodoethenyl]cyclohexan-1-ol
CID 71360128
4-(1,3-dimethyl-2-azaspiro[4.6]undecan-2-yl)benzoic acid
CID 138510583
3-(benzenesulfinyl)spiro[4.5]decane-4,10-dione
CID 11130039
phenyl(spiro[3.5]nonan-9-yl)methanone
CID 101482712
3-(benzenesulfinyl)-2-methylcyclopentan-1-one
CID 64909171
(2R)-spiro[2.5]octane-2-carboxylic acid
CID 10419388
(1-benzoylcyclooctyl)-phenylmethanone
CID 175521310

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(benzenesulfinyl)spiro[3.5]nonan-3-ol?
The IUPAC name of (2R,3R)-2-(benzenesulfinyl)spiro[3.5]nonan-3-ol (CID 15311210) is (2R,3R)-2-(benzenesulfinyl)spiro[3.5]nonan-3-ol.
What is the SMILES notation for (2R,3R)-2-(benzenesulfinyl)spiro[3.5]nonan-3-ol?
The canonical SMILES for (2R,3R)-2-(benzenesulfinyl)spiro[3.5]nonan-3-ol is O=S(c1ccccc1)[C@@H]1CC2(CCCCC2)[C@H]1O.
What is the InChIKey of (2R,3R)-2-(benzenesulfinyl)spiro[3.5]nonan-3-ol?
The InChIKey is STFAEKWZETWNFK-RMAOKOMNSA-N. The full InChI is InChI=1S/C15H20O2S/c16-14-13(11-15(14)9-5-2-6-10-15)18(17)12-7-3-1-4-8-12/h1,3-4,7-8,13-14,16H,2,5-6,9-11H2/t13-,14+,18?/m1/s1.
What are the key properties of (2R,3R)-2-(benzenesulfinyl)spiro[3.5]nonan-3-ol?
(2R,3R)-2-(benzenesulfinyl)spiro[3.5]nonan-3-ol has a molecular weight of 264.39 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(benzenesulfinyl)spiro[3.5]nonan-3-ol is sourced from PubChem (CID 15311210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).