3-[(S)-[2-(dimethylamino)phenyl]sulfinyl]propan-1-ol

C11H17NO2S — CID 11746361

IUPAC3-[(S)-[2-(dimethylamino)phenyl]sulfinyl]propan-1-ol
SMILESCN(C)c1ccccc1[S@@](=O)CCCO
InChIInChI=1S/C11H17NO2S/c1-12(2)10-6-3-4-7-11(10)15(14)9-5-8-13/h3-4,6-7,13H,5,8-9H2,1-2H3/t15-/m0/s1
InChIKeyVRRJMTFYTWJJAW-HNNXBMFYSA-N
MW227.33 g/mol
LogP1.24
Rot. Bonds5

About 3-[(S)-[2-(dimethylamino)phenyl]sulfinyl]propan-1-ol

3-[(S)-[2-(dimethylamino)phenyl]sulfinyl]propan-1-ol (PubChem CID 11746361) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-[(S)-[2-(dimethylamino)phenyl]sulfinyl]propan-1-ol.

Molecular Properties

Compound Name3-[(S)-[2-(dimethylamino)phenyl]sulfinyl]propan-1-ol
PubChem CID11746361
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name3-[(S)-[2-(dimethylamino)phenyl]sulfinyl]propan-1-ol
SMILESCN(C)c1ccccc1[S@@](=O)CCCO
InChIInChI=1S/C11H17NO2S/c1-12(2)10-6-3-4-7-11(10)15(14)9-5-8-13/h3-4,6-7,13H,5,8-9H2,1-2H3/t15-/m0/s1
InChIKeyVRRJMTFYTWJJAW-HNNXBMFYSA-N
XLogP1.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(S)-[2-(dimethylamino)phenyl]sulfinyl]propan-1-ol?
The IUPAC name of 3-[(S)-[2-(dimethylamino)phenyl]sulfinyl]propan-1-ol (CID 11746361) is 3-[(S)-[2-(dimethylamino)phenyl]sulfinyl]propan-1-ol.
What is the SMILES notation for 3-[(S)-[2-(dimethylamino)phenyl]sulfinyl]propan-1-ol?
The canonical SMILES for 3-[(S)-[2-(dimethylamino)phenyl]sulfinyl]propan-1-ol is CN(C)c1ccccc1[S@@](=O)CCCO.
What is the InChIKey of 3-[(S)-[2-(dimethylamino)phenyl]sulfinyl]propan-1-ol?
The InChIKey is VRRJMTFYTWJJAW-HNNXBMFYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-12(2)10-6-3-4-7-11(10)15(14)9-5-8-13/h3-4,6-7,13H,5,8-9H2,1-2H3/t15-/m0/s1.
What are the key properties of 3-[(S)-[2-(dimethylamino)phenyl]sulfinyl]propan-1-ol?
3-[(S)-[2-(dimethylamino)phenyl]sulfinyl]propan-1-ol has a molecular weight of 227.33 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-[2-(dimethylamino)phenyl]sulfinyl]propan-1-ol is sourced from PubChem (CID 11746361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).