3,3-dimethyl-4-(thiomorpholin-3-ylmethyl)morpholine

C11H22N2OS — CID 82917179

IUPAC3,3-dimethyl-4-(thiomorpholin-3-ylmethyl)morpholine
SMILESCC1(C)COCCN1CC1CSCCN1
InChIInChI=1S/C11H22N2OS/c1-11(2)9-14-5-4-13(11)7-10-8-15-6-3-12-10/h10,12H,3-9H2,1-2H3
InChIKeyDPMZEWSVSIXAGA-UHFFFAOYSA-N
MW230.38 g/mol
LogP0.80
Rot. Bonds2

About 3,3-dimethyl-4-(thiomorpholin-3-ylmethyl)morpholine

3,3-dimethyl-4-(thiomorpholin-3-ylmethyl)morpholine (PubChem CID 82917179) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 3,3-dimethyl-4-(thiomorpholin-3-ylmethyl)morpholine.

Molecular Properties

Compound Name3,3-dimethyl-4-(thiomorpholin-3-ylmethyl)morpholine
PubChem CID82917179
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name3,3-dimethyl-4-(thiomorpholin-3-ylmethyl)morpholine
SMILESCC1(C)COCCN1CC1CSCCN1
InChIInChI=1S/C11H22N2OS/c1-11(2)9-14-5-4-13(11)7-10-8-15-6-3-12-10/h10,12H,3-9H2,1-2H3
InChIKeyDPMZEWSVSIXAGA-UHFFFAOYSA-N
XLogP0.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(thiomorpholin-3-ylmethyl)morpholine?
The IUPAC name of 3,3-dimethyl-4-(thiomorpholin-3-ylmethyl)morpholine (CID 82917179) is 3,3-dimethyl-4-(thiomorpholin-3-ylmethyl)morpholine.
What is the SMILES notation for 3,3-dimethyl-4-(thiomorpholin-3-ylmethyl)morpholine?
The canonical SMILES for 3,3-dimethyl-4-(thiomorpholin-3-ylmethyl)morpholine is CC1(C)COCCN1CC1CSCCN1.
What is the InChIKey of 3,3-dimethyl-4-(thiomorpholin-3-ylmethyl)morpholine?
The InChIKey is DPMZEWSVSIXAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-11(2)9-14-5-4-13(11)7-10-8-15-6-3-12-10/h10,12H,3-9H2,1-2H3.
What are the key properties of 3,3-dimethyl-4-(thiomorpholin-3-ylmethyl)morpholine?
3,3-dimethyl-4-(thiomorpholin-3-ylmethyl)morpholine has a molecular weight of 230.38 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(thiomorpholin-3-ylmethyl)morpholine is sourced from PubChem (CID 82917179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).