4-(2,2-dimorpholin-4-ylthiomorpholin-3-yl)morpholine

C16H30N4O3S — CID 174292103

IUPAC4-(2,2-dimorpholin-4-ylthiomorpholin-3-yl)morpholine
SMILESC1CSC(N2CCOCC2)(N2CCOCC2)C(N2CCOCC2)N1
InChIInChI=1S/C16H30N4O3S/c1-14-24-16(19-4-10-22-11-5-19,20-6-12-23-13-7-20)15(17-1)18-2-8-21-9-3-18/h15,17H,1-14H2
InChIKeyLCZHNAHMMUODFB-UHFFFAOYSA-N
MW358.51 g/mol
LogP-0.70
Rot. Bonds3

About 4-(2,2-dimorpholin-4-ylthiomorpholin-3-yl)morpholine

4-(2,2-dimorpholin-4-ylthiomorpholin-3-yl)morpholine (PubChem CID 174292103) has the molecular formula C16H30N4O3S and a molecular weight of 358.51 g/mol. Its IUPAC name is 4-(2,2-dimorpholin-4-ylthiomorpholin-3-yl)morpholine.

Molecular Properties

Compound Name4-(2,2-dimorpholin-4-ylthiomorpholin-3-yl)morpholine
PubChem CID174292103
Molecular FormulaC16H30N4O3S
Molecular Weight358.51 g/mol
Exact Mass358.20
IUPAC Name4-(2,2-dimorpholin-4-ylthiomorpholin-3-yl)morpholine
SMILESC1CSC(N2CCOCC2)(N2CCOCC2)C(N2CCOCC2)N1
InChIInChI=1S/C16H30N4O3S/c1-14-24-16(19-4-10-22-11-5-19,20-6-12-23-13-7-20)15(17-1)18-2-8-21-9-3-18/h15,17H,1-14H2
InChIKeyLCZHNAHMMUODFB-UHFFFAOYSA-N
XLogP-0.70
TPSA49.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(azocan-2-yl)morpholine
CID 70413197
3-imidazolidin-2-yl-1,3-oxazolidine
CID 173218441
1-morpholin-4-yl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 151870745
4-(2-methylpyrrolidin-3-yl)morpholine
CID 71669026
4-[(2R,3R)-2-methylpyrrolidin-3-yl]morpholine
CID 99868082
4-[(2R,3S)-2-methylpyrrolidin-3-yl]morpholine
CID 99868084
4-(1-morpholin-4-ylcyclopropyl)morpholine
CID 121219677
4-[(3R)-2,2-dimethylpyrrolidin-3-yl]morpholine
CID 99868070
1-(3-morpholin-4-ylmorpholin-2-yl)propan-1-one
CID 18678964
4-(7-azaspiro[3.5]nonan-3-yl)morpholine
CID 86820562
4-(6-bicyclo[3.1.0]hexanyl)morpholine
CID 12811780
4-(2-piperazin-1-ylcyclopentyl)morpholine
CID 121209586

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimorpholin-4-ylthiomorpholin-3-yl)morpholine?
The IUPAC name of 4-(2,2-dimorpholin-4-ylthiomorpholin-3-yl)morpholine (CID 174292103) is 4-(2,2-dimorpholin-4-ylthiomorpholin-3-yl)morpholine.
What is the SMILES notation for 4-(2,2-dimorpholin-4-ylthiomorpholin-3-yl)morpholine?
The canonical SMILES for 4-(2,2-dimorpholin-4-ylthiomorpholin-3-yl)morpholine is C1CSC(N2CCOCC2)(N2CCOCC2)C(N2CCOCC2)N1.
What is the InChIKey of 4-(2,2-dimorpholin-4-ylthiomorpholin-3-yl)morpholine?
The InChIKey is LCZHNAHMMUODFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3S/c1-14-24-16(19-4-10-22-11-5-19,20-6-12-23-13-7-20)15(17-1)18-2-8-21-9-3-18/h15,17H,1-14H2.
What are the key properties of 4-(2,2-dimorpholin-4-ylthiomorpholin-3-yl)morpholine?
4-(2,2-dimorpholin-4-ylthiomorpholin-3-yl)morpholine has a molecular weight of 358.51 g/mol, XLogP of -0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimorpholin-4-ylthiomorpholin-3-yl)morpholine is sourced from PubChem (CID 174292103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).