2,6-dimethylmorpholine;morpholine;thiomorpholine

C14H31N3O2S — CID 159728961

IUPAC2,6-dimethylmorpholine;morpholine;thiomorpholine
SMILESC1COCCN1.C1CSCCN1.CC1CNCC(C)O1
InChIInChI=1S/C6H13NO.C4H9NO.C4H9NS/c1-5-3-7-4-6(2)8-5;2*1-3-6-4-2-5-1/h5-7H,3-4H2,1-2H3;2*5H,1-4H2
InChIKeyNAZLQTZBVWJAON-UHFFFAOYSA-N
MW305.49 g/mol
LogP0.31
Rot. Bonds

About 2,6-dimethylmorpholine;morpholine;thiomorpholine

2,6-dimethylmorpholine;morpholine;thiomorpholine (PubChem CID 159728961) has the molecular formula C14H31N3O2S and a molecular weight of 305.49 g/mol. Its IUPAC name is 2,6-dimethylmorpholine;morpholine;thiomorpholine.

Molecular Properties

Compound Name2,6-dimethylmorpholine;morpholine;thiomorpholine
PubChem CID159728961
Molecular FormulaC14H31N3O2S
Molecular Weight305.49 g/mol
Exact Mass305.21
IUPAC Name2,6-dimethylmorpholine;morpholine;thiomorpholine
SMILESC1COCCN1.C1CSCCN1.CC1CNCC(C)O1
InChIInChI=1S/C6H13NO.C4H9NO.C4H9NS/c1-5-3-7-4-6(2)8-5;2*1-3-6-4-2-5-1/h5-7H,3-4H2,1-2H3;2*5H,1-4H2
InChIKeyNAZLQTZBVWJAON-UHFFFAOYSA-N
XLogP0.31
TPSA54.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2,6-dimethylmorpholine;morpholine;thiomorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-oxa-4,13-dithia-7,10-diazacyclopentadecane
CID 15321739
1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadecane;1,4,7,10,13-pentaoxa-16-thiacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane;1,4,7,13-tetraoxa-10,16-dithiacyclooctadecane;1,4,7,10-tetraoxa-13-thiacyclopentadecane;1,4,7-trioxa-10,13-dithiacyclopentadecane;1,4,10-trioxa-7,13-dithiacyclopentadecane;1,4,7-trioxonane
CID 158126715
2,6-dimethylmorpholine;propane
CID 143985013
oxepane;piperazine;thiomorpholine
CID 160642361
cyclohexane;cyclopentane;ethane;nonakis(2-methylpropane);morpholine;oxane;oxolane;piperazine;piperidine;pyrrolidine;thiomorpholine
CID 162002858
ethane;morpholine
CID 91516807
1,4-dithiane;ethane;thiomorpholine
CID 145202008
methylphosphane;morpholine
CID 171535935
morpholine;ruthenium(3+)
CID 162097690
sodium morpholine
CID 21469219
thiomorpholine;trihydrochloride
CID 141375398
morpholine;piperazine
CID 22665942

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylmorpholine;morpholine;thiomorpholine?
The IUPAC name of 2,6-dimethylmorpholine;morpholine;thiomorpholine (CID 159728961) is 2,6-dimethylmorpholine;morpholine;thiomorpholine.
What is the SMILES notation for 2,6-dimethylmorpholine;morpholine;thiomorpholine?
The canonical SMILES for 2,6-dimethylmorpholine;morpholine;thiomorpholine is C1COCCN1.C1CSCCN1.CC1CNCC(C)O1.
What is the InChIKey of 2,6-dimethylmorpholine;morpholine;thiomorpholine?
The InChIKey is NAZLQTZBVWJAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C4H9NO.C4H9NS/c1-5-3-7-4-6(2)8-5;2*1-3-6-4-2-5-1/h5-7H,3-4H2,1-2H3;2*5H,1-4H2.
What are the key properties of 2,6-dimethylmorpholine;morpholine;thiomorpholine?
2,6-dimethylmorpholine;morpholine;thiomorpholine has a molecular weight of 305.49 g/mol, XLogP of 0.31, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylmorpholine;morpholine;thiomorpholine is sourced from PubChem (CID 159728961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).