2-methyl-1-[(2R)-2-propan-2-ylthiomorpholin-4-yl]propan-2-ol

C11H23NOS — CID 95783624

IUPAC2-methyl-1-[(2R)-2-propan-2-ylthiomorpholin-4-yl]propan-2-ol
SMILESCC(C)[C@@H]1CN(CC(C)(C)O)CCS1
InChIInChI=1S/C11H23NOS/c1-9(2)10-7-12(5-6-14-10)8-11(3,4)13/h9-10,13H,5-8H2,1-4H3/t10-/m0/s1
InChIKeyCTCXRFPRZIAXCI-JTQLQIEISA-N
MW217.38 g/mol
LogP1.83
Rot. Bonds3

About 2-methyl-1-[(2R)-2-propan-2-ylthiomorpholin-4-yl]propan-2-ol

2-methyl-1-[(2R)-2-propan-2-ylthiomorpholin-4-yl]propan-2-ol (PubChem CID 95783624) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 2-methyl-1-[(2R)-2-propan-2-ylthiomorpholin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(2R)-2-propan-2-ylthiomorpholin-4-yl]propan-2-ol
PubChem CID95783624
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name2-methyl-1-[(2R)-2-propan-2-ylthiomorpholin-4-yl]propan-2-ol
SMILESCC(C)[C@@H]1CN(CC(C)(C)O)CCS1
InChIInChI=1S/C11H23NOS/c1-9(2)10-7-12(5-6-14-10)8-11(3,4)13/h9-10,13H,5-8H2,1-4H3/t10-/m0/s1
InChIKeyCTCXRFPRZIAXCI-JTQLQIEISA-N
XLogP1.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2R)-2-propan-2-ylthiomorpholin-4-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[(2R)-2-propan-2-ylthiomorpholin-4-yl]propan-2-ol (CID 95783624) is 2-methyl-1-[(2R)-2-propan-2-ylthiomorpholin-4-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[(2R)-2-propan-2-ylthiomorpholin-4-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[(2R)-2-propan-2-ylthiomorpholin-4-yl]propan-2-ol is CC(C)[C@@H]1CN(CC(C)(C)O)CCS1.
What is the InChIKey of 2-methyl-1-[(2R)-2-propan-2-ylthiomorpholin-4-yl]propan-2-ol?
The InChIKey is CTCXRFPRZIAXCI-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23NOS/c1-9(2)10-7-12(5-6-14-10)8-11(3,4)13/h9-10,13H,5-8H2,1-4H3/t10-/m0/s1.
What are the key properties of 2-methyl-1-[(2R)-2-propan-2-ylthiomorpholin-4-yl]propan-2-ol?
2-methyl-1-[(2R)-2-propan-2-ylthiomorpholin-4-yl]propan-2-ol has a molecular weight of 217.38 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2R)-2-propan-2-ylthiomorpholin-4-yl]propan-2-ol is sourced from PubChem (CID 95783624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).