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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Related Compounds

2,2-dimethyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-ol
CID 102745863
2,2-dimethyl-4-[(1-methylcyclopropyl)methyl]thiomorpholine
CID 126999480
3-(5-azaspiro[2.3]hexan-5-yl)-2,2-dimethylpropan-1-ol
CID 104550659
4-(2-chloroprop-2-enyl)-2,2-dimethylthiomorpholine
CID 130739907
(2R)-1-(2,2-dimethylthiomorpholin-4-yl)butan-2-ol
CID 130162029
1-(2,2-dimethylthiomorpholin-4-yl)-4-methoxy-4-methylpentan-3-ol
CID 114229275
3-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-ol
CID 62270177
2,2-dimethyl-3-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-1-ol
CID 123455408
6-(2,2-dimethylthiomorpholin-4-yl)hexan-3-one
CID 106801591
4-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylbutan-2-ol
CID 107271922
4-(2,2-dimethylthiomorpholin-4-yl)-2-ethylbut-2-enoic acid
CID 104874800
4-(7,7-dimethyl-1,4-thiazepan-4-yl)-2,2-dimethylbutan-1-amine
CID 107453618

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).