3-(2-methylsulfanylpropan-2-yl)morpholine

C8H17NOS — CID 123688070

IUPAC3-(2-methylsulfanylpropan-2-yl)morpholine
SMILESCSC(C)(C)C1COCCN1
InChIInChI=1S/C8H17NOS/c1-8(2,11-3)7-6-10-5-4-9-7/h7,9H,4-6H2,1-3H3
InChIKeyJXUWCADMDGMUKX-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.12
Rot. Bonds2

About 3-(2-methylsulfanylpropan-2-yl)morpholine

3-(2-methylsulfanylpropan-2-yl)morpholine (PubChem CID 123688070) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 3-(2-methylsulfanylpropan-2-yl)morpholine.

Molecular Properties

Compound Name3-(2-methylsulfanylpropan-2-yl)morpholine
PubChem CID123688070
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name3-(2-methylsulfanylpropan-2-yl)morpholine
SMILESCSC(C)(C)C1COCCN1
InChIInChI=1S/C8H17NOS/c1-8(2,11-3)7-6-10-5-4-9-7/h7,9H,4-6H2,1-3H3
InChIKeyJXUWCADMDGMUKX-UHFFFAOYSA-N
XLogP1.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfanylpropan-2-yl)morpholine?
The IUPAC name of 3-(2-methylsulfanylpropan-2-yl)morpholine (CID 123688070) is 3-(2-methylsulfanylpropan-2-yl)morpholine.
What is the SMILES notation for 3-(2-methylsulfanylpropan-2-yl)morpholine?
The canonical SMILES for 3-(2-methylsulfanylpropan-2-yl)morpholine is CSC(C)(C)C1COCCN1.
What is the InChIKey of 3-(2-methylsulfanylpropan-2-yl)morpholine?
The InChIKey is JXUWCADMDGMUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-8(2,11-3)7-6-10-5-4-9-7/h7,9H,4-6H2,1-3H3.
What are the key properties of 3-(2-methylsulfanylpropan-2-yl)morpholine?
3-(2-methylsulfanylpropan-2-yl)morpholine has a molecular weight of 175.30 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfanylpropan-2-yl)morpholine is sourced from PubChem (CID 123688070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).