4-(2,6-dimethylthiomorpholin-4-yl)-3,3-dimethylbutan-2-ol

C12H25NOS — CID 66454350

IUPAC4-(2,6-dimethylthiomorpholin-4-yl)-3,3-dimethylbutan-2-ol
SMILESCC1CN(CC(C)(C)C(C)O)CC(C)S1
InChIInChI=1S/C12H25NOS/c1-9-6-13(7-10(2)15-9)8-12(4,5)11(3)14/h9-11,14H,6-8H2,1-5H3
InChIKeyYAJMHDQYSYKIQL-UHFFFAOYSA-N
MW231.41 g/mol
LogP2.22
Rot. Bonds3

About 4-(2,6-dimethylthiomorpholin-4-yl)-3,3-dimethylbutan-2-ol

4-(2,6-dimethylthiomorpholin-4-yl)-3,3-dimethylbutan-2-ol (PubChem CID 66454350) has the molecular formula C12H25NOS and a molecular weight of 231.41 g/mol. Its IUPAC name is 4-(2,6-dimethylthiomorpholin-4-yl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name4-(2,6-dimethylthiomorpholin-4-yl)-3,3-dimethylbutan-2-ol
PubChem CID66454350
Molecular FormulaC12H25NOS
Molecular Weight231.41 g/mol
Exact Mass231.17
IUPAC Name4-(2,6-dimethylthiomorpholin-4-yl)-3,3-dimethylbutan-2-ol
SMILESCC1CN(CC(C)(C)C(C)O)CC(C)S1
InChIInChI=1S/C12H25NOS/c1-9-6-13(7-10(2)15-9)8-12(4,5)11(3)14/h9-11,14H,6-8H2,1-5H3
InChIKeyYAJMHDQYSYKIQL-UHFFFAOYSA-N
XLogP2.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-ol
CID 66452172
1-(3-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidin-3-ol
CID 131026005
3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-ol
CID 66452170
3,3-dimethyl-4-(4-methylazepan-1-yl)butan-2-ol
CID 66453480
3,3-dimethyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-2-ol
CID 79170230
1-(2,6-dimethylthiomorpholin-4-yl)-4-methoxy-4-methylpentan-3-ol
CID 114229256
4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 66454127
3-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-ol
CID 115873173
3,3-dimethyl-4-(1,4-thiazepan-4-yl)butan-2-ol
CID 66453476
4-(3,4-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-2-amine
CID 79183847
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-ol
CID 66453045
4-(3,3-difluoropyrrolidin-1-yl)-3,3-dimethylbutan-2-ol
CID 130624309

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylthiomorpholin-4-yl)-3,3-dimethylbutan-2-ol?
The IUPAC name of 4-(2,6-dimethylthiomorpholin-4-yl)-3,3-dimethylbutan-2-ol (CID 66454350) is 4-(2,6-dimethylthiomorpholin-4-yl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 4-(2,6-dimethylthiomorpholin-4-yl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 4-(2,6-dimethylthiomorpholin-4-yl)-3,3-dimethylbutan-2-ol is CC1CN(CC(C)(C)C(C)O)CC(C)S1.
What is the InChIKey of 4-(2,6-dimethylthiomorpholin-4-yl)-3,3-dimethylbutan-2-ol?
The InChIKey is YAJMHDQYSYKIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-9-6-13(7-10(2)15-9)8-12(4,5)11(3)14/h9-11,14H,6-8H2,1-5H3.
What are the key properties of 4-(2,6-dimethylthiomorpholin-4-yl)-3,3-dimethylbutan-2-ol?
4-(2,6-dimethylthiomorpholin-4-yl)-3,3-dimethylbutan-2-ol has a molecular weight of 231.41 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylthiomorpholin-4-yl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 66454350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).