1-(2,2-dimethylthiomorpholin-4-yl)-4-methoxy-4-methylpentan-3-ol

C13H27NO2S — CID 114229275

IUPAC1-(2,2-dimethylthiomorpholin-4-yl)-4-methoxy-4-methylpentan-3-ol
SMILESCOC(C)(C)C(O)CCN1CCSC(C)(C)C1
InChIInChI=1S/C13H27NO2S/c1-12(2)10-14(8-9-17-12)7-6-11(15)13(3,4)16-5/h11,15H,6-10H2,1-5H3
InChIKeyOMOGEBSEXXUAIO-UHFFFAOYSA-N
MW261.43 g/mol
LogP1.99
Rot. Bonds5

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

1-(2,2-dimethylthiomorpholin-4-yl)-4-methoxy-4-methylpentan-3-ol (PubChem CID 114229275) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is 1-(2,2-dimethylthiomorpholin-4-yl)-4-methoxy-4-methylpentan-3-ol.

Molecular Properties

Compound Name1-(2,2-dimethylthiomorpholin-4-yl)-4-methoxy-4-methylpentan-3-ol
PubChem CID114229275
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name1-(2,2-dimethylthiomorpholin-4-yl)-4-methoxy-4-methylpentan-3-ol
SMILESCOC(C)(C)C(O)CCN1CCSC(C)(C)C1
InChIInChI=1S/C13H27NO2S/c1-12(2)10-14(8-9-17-12)7-6-11(15)13(3,4)16-5/h11,15H,6-10H2,1-5H3
InChIKeyOMOGEBSEXXUAIO-UHFFFAOYSA-N
XLogP1.99
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpentan-3-ol
CID 114229284
1-(2,6-dimethylthiomorpholin-4-yl)-4-methoxy-4-methylpentan-3-ol
CID 114229256
1-(3,4-dimethylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-ol
CID 114229274
3-(2,2-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-ol
CID 115773092
(2R)-1-(2,2-dimethylthiomorpholin-4-yl)butan-2-ol
CID 130162029
2,2-dimethyl-4-[(1-methylcyclopropyl)methyl]thiomorpholine
CID 126999480
6-(2,2-dimethylthiomorpholin-4-yl)hexan-3-one
CID 106801591
4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylthiomorpholine
CID 116680473
4-(2-chloroprop-2-enyl)-2,2-dimethylthiomorpholine
CID 130739907
methyl 4-(2,2-dimethylthiomorpholin-4-yl)-2-methylbut-2-enoate
CID 103740109
1-amino-4-methoxy-4-methylpentan-3-ol
CID 130647917
4-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylbutan-2-ol
CID 107271922

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylthiomorpholin-4-yl)-4-methoxy-4-methylpentan-3-ol?
The IUPAC name of 1-(2,2-dimethylthiomorpholin-4-yl)-4-methoxy-4-methylpentan-3-ol (CID 114229275) is 1-(2,2-dimethylthiomorpholin-4-yl)-4-methoxy-4-methylpentan-3-ol.
What is the SMILES notation for 1-(2,2-dimethylthiomorpholin-4-yl)-4-methoxy-4-methylpentan-3-ol?
The canonical SMILES for 1-(2,2-dimethylthiomorpholin-4-yl)-4-methoxy-4-methylpentan-3-ol is COC(C)(C)C(O)CCN1CCSC(C)(C)C1.
What is the InChIKey of 1-(2,2-dimethylthiomorpholin-4-yl)-4-methoxy-4-methylpentan-3-ol?
The InChIKey is OMOGEBSEXXUAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-12(2)10-14(8-9-17-12)7-6-11(15)13(3,4)16-5/h11,15H,6-10H2,1-5H3.
What are the key properties of 1-(2,2-dimethylthiomorpholin-4-yl)-4-methoxy-4-methylpentan-3-ol?
1-(2,2-dimethylthiomorpholin-4-yl)-4-methoxy-4-methylpentan-3-ol has a molecular weight of 261.43 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylthiomorpholin-4-yl)-4-methoxy-4-methylpentan-3-ol is sourced from PubChem (CID 114229275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).