(2S)-1-(benzenesulfonyl)decan-2-ol

C16H26O3S — CID 12958395

IUPAC(2S)-1-(benzenesulfonyl)decan-2-ol
SMILESCCCCCCCC[C@H](O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H26O3S/c1-2-3-4-5-6-8-11-15(17)14-20(18,19)16-12-9-7-10-13-16/h7,9-10,12-13,15,17H,2-6,8,11,14H2,1H3/t15-/m0/s1
InChIKeyNKCQAWWUGJEUPR-HNNXBMFYSA-N
MW298.45 g/mol
LogP3.57
Rot. Bonds10

About (2S)-1-(benzenesulfonyl)decan-2-ol

(2S)-1-(benzenesulfonyl)decan-2-ol (PubChem CID 12958395) has the molecular formula C16H26O3S and a molecular weight of 298.45 g/mol. Its IUPAC name is (2S)-1-(benzenesulfonyl)decan-2-ol.

Molecular Properties

Compound Name(2S)-1-(benzenesulfonyl)decan-2-ol
PubChem CID12958395
Molecular FormulaC16H26O3S
Molecular Weight298.45 g/mol
Exact Mass298.16
IUPAC Name(2S)-1-(benzenesulfonyl)decan-2-ol
SMILESCCCCCCCC[C@H](O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H26O3S/c1-2-3-4-5-6-8-11-15(17)14-20(18,19)16-12-9-7-10-13-16/h7,9-10,12-13,15,17H,2-6,8,11,14H2,1H3/t15-/m0/s1
InChIKeyNKCQAWWUGJEUPR-HNNXBMFYSA-N
XLogP3.57
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 30202
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CID 11127286
2-(Benzenesulfonyl)-3-propyloxirane
CID 14532897
11-(Benzenesulfonyl)undeca-2,9-diyn-1-ol
CID 44326840
1-(Benzenesulfonyl)hept-2-yn-4-ol
CID 44326882
2-Octoxyethylsulfonylbenzene
CID 44377556
1-(Benzenesulfonyl)propan-2-ol
CID 547258
1-(Phenylsulfanyl)-2-octanol
CID 11276474
1-(Phenylsulfinyl)propan-2-ol
CID 12619450
3-(Benzenesulfonyl)cyclobutan-1-ol
CID 12442438
1-(2-Fluoro-1,1,3,3-tetraoxo-1lambda6,3lambda6-benzodithiol-2-yl)nonan-1-ol
CID 135004518

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(benzenesulfonyl)decan-2-ol?
The IUPAC name of (2S)-1-(benzenesulfonyl)decan-2-ol (CID 12958395) is (2S)-1-(benzenesulfonyl)decan-2-ol.
What is the SMILES notation for (2S)-1-(benzenesulfonyl)decan-2-ol?
The canonical SMILES for (2S)-1-(benzenesulfonyl)decan-2-ol is CCCCCCCC[C@H](O)CS(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-1-(benzenesulfonyl)decan-2-ol?
The InChIKey is NKCQAWWUGJEUPR-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26O3S/c1-2-3-4-5-6-8-11-15(17)14-20(18,19)16-12-9-7-10-13-16/h7,9-10,12-13,15,17H,2-6,8,11,14H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-1-(benzenesulfonyl)decan-2-ol?
(2S)-1-(benzenesulfonyl)decan-2-ol has a molecular weight of 298.45 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(benzenesulfonyl)decan-2-ol is sourced from PubChem (CID 12958395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).