3,3-dimethyl-4-methylsulfonylthiomorpholine

C7H15NO2S2 — CID 130677346

IUPAC3,3-dimethyl-4-methylsulfonylthiomorpholine
SMILESCC1(C)CSCCN1S(C)(=O)=O
InChIInChI=1S/C7H15NO2S2/c1-7(2)6-11-5-4-8(7)12(3,9)10/h4-6H2,1-3H3
InChIKeyAOYUQVJJXSJFEI-UHFFFAOYSA-N
MW209.34 g/mol
LogP0.77
Rot. Bonds1

About 3,3-dimethyl-4-methylsulfonylthiomorpholine

3,3-dimethyl-4-methylsulfonylthiomorpholine (PubChem CID 130677346) has the molecular formula C7H15NO2S2 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3,3-dimethyl-4-methylsulfonylthiomorpholine.

Molecular Properties

Compound Name3,3-dimethyl-4-methylsulfonylthiomorpholine
PubChem CID130677346
Molecular FormulaC7H15NO2S2
Molecular Weight209.34 g/mol
Exact Mass209.05
IUPAC Name3,3-dimethyl-4-methylsulfonylthiomorpholine
SMILESCC1(C)CSCCN1S(C)(=O)=O
InChIInChI=1S/C7H15NO2S2/c1-7(2)6-11-5-4-8(7)12(3,9)10/h4-6H2,1-3H3
InChIKeyAOYUQVJJXSJFEI-UHFFFAOYSA-N
XLogP0.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-4-propan-2-ylthiomorpholine
CID 130717092
2,2-dimethyl-1-methylsulfonylpiperidin-4-ol
CID 83702080
1-(3,3-dimethylthiomorpholin-4-yl)-2-hydroxyethanone
CID 130688632
3,3-dimethyl-4-propylthiomorpholine
CID 130685619
7-methylsulfonyl-2-thia-7-azaspiro[4.4]nonane
CID 12691872
(3,3-dimethylthiomorpholin-4-yl)methyl-trimethylsilane
CID 127013251
2-iodo-2-methyl-1-methylsulfonylpyrrolidine
CID 126631454
[3-(4-methylsulfonylpiperazin-1-yl)thiolan-3-yl]methanamine
CID 62993774
(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl) 2,2-dimethylpropanoate
CID 174682346
2,2,5-trimethyl-1-methylsulfonylpiperazine
CID 82241466
[4,4-dimethyl-3-(3-methylsulfonylthiomorpholin-4-yl)thian-3-yl]methanamine
CID 79948822
N-(cyanomethyl)-N-(3,3-dimethylthiomorpholin-4-yl)nitrous amide
CID 22363312

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-methylsulfonylthiomorpholine?
The IUPAC name of 3,3-dimethyl-4-methylsulfonylthiomorpholine (CID 130677346) is 3,3-dimethyl-4-methylsulfonylthiomorpholine.
What is the SMILES notation for 3,3-dimethyl-4-methylsulfonylthiomorpholine?
The canonical SMILES for 3,3-dimethyl-4-methylsulfonylthiomorpholine is CC1(C)CSCCN1S(C)(=O)=O.
What is the InChIKey of 3,3-dimethyl-4-methylsulfonylthiomorpholine?
The InChIKey is AOYUQVJJXSJFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S2/c1-7(2)6-11-5-4-8(7)12(3,9)10/h4-6H2,1-3H3.
What are the key properties of 3,3-dimethyl-4-methylsulfonylthiomorpholine?
3,3-dimethyl-4-methylsulfonylthiomorpholine has a molecular weight of 209.34 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-methylsulfonylthiomorpholine is sourced from PubChem (CID 130677346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).