(1R,2S)-2-morpholin-4-ylsulfonyl-1-phenylpropan-1-ol

C13H19NO4S — CID 134969238

IUPAC(1R,2S)-2-morpholin-4-ylsulfonyl-1-phenylpropan-1-ol
SMILESC[C@@H]([C@H](O)c1ccccc1)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H19NO4S/c1-11(13(15)12-5-3-2-4-6-12)19(16,17)14-7-9-18-10-8-14/h2-6,11,13,15H,7-10H2,1H3/t11-,13-/m0/s1
InChIKeyMPJLNDIZVBAFCA-AAEUAGOBSA-N
MW285.36 g/mol
LogP0.77
Rot. Bonds4

About (1R,2S)-2-morpholin-4-ylsulfonyl-1-phenylpropan-1-ol

(1R,2S)-2-morpholin-4-ylsulfonyl-1-phenylpropan-1-ol (PubChem CID 134969238) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is (1R,2S)-2-morpholin-4-ylsulfonyl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-morpholin-4-ylsulfonyl-1-phenylpropan-1-ol
PubChem CID134969238
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC Name(1R,2S)-2-morpholin-4-ylsulfonyl-1-phenylpropan-1-ol
SMILESC[C@@H]([C@H](O)c1ccccc1)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H19NO4S/c1-11(13(15)12-5-3-2-4-6-12)19(16,17)14-7-9-18-10-8-14/h2-6,11,13,15H,7-10H2,1H3/t11-,13-/m0/s1
InChIKeyMPJLNDIZVBAFCA-AAEUAGOBSA-N
XLogP0.77
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-morpholin-4-ylsulfonyl-1-phenylpropan-1-ol?
The IUPAC name of (1R,2S)-2-morpholin-4-ylsulfonyl-1-phenylpropan-1-ol (CID 134969238) is (1R,2S)-2-morpholin-4-ylsulfonyl-1-phenylpropan-1-ol.
What is the SMILES notation for (1R,2S)-2-morpholin-4-ylsulfonyl-1-phenylpropan-1-ol?
The canonical SMILES for (1R,2S)-2-morpholin-4-ylsulfonyl-1-phenylpropan-1-ol is C[C@@H]([C@H](O)c1ccccc1)S(=O)(=O)N1CCOCC1.
What is the InChIKey of (1R,2S)-2-morpholin-4-ylsulfonyl-1-phenylpropan-1-ol?
The InChIKey is MPJLNDIZVBAFCA-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-11(13(15)12-5-3-2-4-6-12)19(16,17)14-7-9-18-10-8-14/h2-6,11,13,15H,7-10H2,1H3/t11-,13-/m0/s1.
What are the key properties of (1R,2S)-2-morpholin-4-ylsulfonyl-1-phenylpropan-1-ol?
(1R,2S)-2-morpholin-4-ylsulfonyl-1-phenylpropan-1-ol has a molecular weight of 285.36 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-morpholin-4-ylsulfonyl-1-phenylpropan-1-ol is sourced from PubChem (CID 134969238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).