1-(3-methylsulfonylthiomorpholin-4-yl)-2-phenylpropan-2-ol

C14H21NO3S2 — CID 66383197

IUPAC1-(3-methylsulfonylthiomorpholin-4-yl)-2-phenylpropan-2-ol
SMILESCC(O)(CN1CCSCC1S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C14H21NO3S2/c1-14(16,12-6-4-3-5-7-12)11-15-8-9-19-10-13(15)20(2,17)18/h3-7,13,16H,8-11H2,1-2H3
InChIKeyMNRZQVMLDYGOSM-UHFFFAOYSA-N
MW315.46 g/mol
LogP1.31
Rot. Bonds4

About 1-(3-methylsulfonylthiomorpholin-4-yl)-2-phenylpropan-2-ol

1-(3-methylsulfonylthiomorpholin-4-yl)-2-phenylpropan-2-ol (PubChem CID 66383197) has the molecular formula C14H21NO3S2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-(3-methylsulfonylthiomorpholin-4-yl)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(3-methylsulfonylthiomorpholin-4-yl)-2-phenylpropan-2-ol
PubChem CID66383197
Molecular FormulaC14H21NO3S2
Molecular Weight315.46 g/mol
Exact Mass315.10
IUPAC Name1-(3-methylsulfonylthiomorpholin-4-yl)-2-phenylpropan-2-ol
SMILESCC(O)(CN1CCSCC1S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C14H21NO3S2/c1-14(16,12-6-4-3-5-7-12)11-15-8-9-19-10-13(15)20(2,17)18/h3-7,13,16H,8-11H2,1-2H3
InChIKeyMNRZQVMLDYGOSM-UHFFFAOYSA-N
XLogP1.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfonylthiomorpholin-4-yl)-2-phenylpropan-2-ol?
The IUPAC name of 1-(3-methylsulfonylthiomorpholin-4-yl)-2-phenylpropan-2-ol (CID 66383197) is 1-(3-methylsulfonylthiomorpholin-4-yl)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(3-methylsulfonylthiomorpholin-4-yl)-2-phenylpropan-2-ol?
The canonical SMILES for 1-(3-methylsulfonylthiomorpholin-4-yl)-2-phenylpropan-2-ol is CC(O)(CN1CCSCC1S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 1-(3-methylsulfonylthiomorpholin-4-yl)-2-phenylpropan-2-ol?
The InChIKey is MNRZQVMLDYGOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S2/c1-14(16,12-6-4-3-5-7-12)11-15-8-9-19-10-13(15)20(2,17)18/h3-7,13,16H,8-11H2,1-2H3.
What are the key properties of 1-(3-methylsulfonylthiomorpholin-4-yl)-2-phenylpropan-2-ol?
1-(3-methylsulfonylthiomorpholin-4-yl)-2-phenylpropan-2-ol has a molecular weight of 315.46 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfonylthiomorpholin-4-yl)-2-phenylpropan-2-ol is sourced from PubChem (CID 66383197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).