3-(2,2-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-ol

C11H23NOS — CID 115773092

IUPAC3-(2,2-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CN1CCSC(C)(C)C1
InChIInChI=1S/C11H23NOS/c1-10(2,9-13)7-12-5-6-14-11(3,4)8-12/h13H,5-9H2,1-4H3
InChIKeyRDJLQGYITUVVAU-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.83
Rot. Bonds3

About 3-(2,2-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-ol

3-(2,2-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-ol (PubChem CID 115773092) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 3-(2,2-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(2,2-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-ol
PubChem CID115773092
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name3-(2,2-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CN1CCSC(C)(C)C1
InChIInChI=1S/C11H23NOS/c1-10(2,9-13)7-12-5-6-14-11(3,4)8-12/h13H,5-9H2,1-4H3
InChIKeyRDJLQGYITUVVAU-UHFFFAOYSA-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 3-(2,2-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(2,2-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-ol (CID 115773092) is 3-(2,2-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(2,2-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(2,2-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-ol is CC(C)(CO)CN1CCSC(C)(C)C1.
What is the InChIKey of 3-(2,2-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is RDJLQGYITUVVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-10(2,9-13)7-12-5-6-14-11(3,4)8-12/h13H,5-9H2,1-4H3.
What are the key properties of 3-(2,2-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-ol?
3-(2,2-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-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 3-(2,2-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115773092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).