[3-(5-ethyl-2-methylmorpholin-4-yl)-1,1-dioxothian-3-yl]methanamine

C13H26N2O3S — CID 63922853

IUPAC[3-(5-ethyl-2-methylmorpholin-4-yl)-1,1-dioxothian-3-yl]methanamine
SMILESCCC1COC(C)CN1C1(CN)CCCS(=O)(=O)C1
InChIInChI=1S/C13H26N2O3S/c1-3-12-8-18-11(2)7-15(12)13(9-14)5-4-6-19(16,17)10-13/h11-12H,3-10,14H2,1-2H3
InChIKeyZDNXSUGAWDDMHO-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.39
Rot. Bonds3

About [3-(5-ethyl-2-methylmorpholin-4-yl)-1,1-dioxothian-3-yl]methanamine

[3-(5-ethyl-2-methylmorpholin-4-yl)-1,1-dioxothian-3-yl]methanamine (PubChem CID 63922853) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is [3-(5-ethyl-2-methylmorpholin-4-yl)-1,1-dioxothian-3-yl]methanamine.

Molecular Properties

Compound Name[3-(5-ethyl-2-methylmorpholin-4-yl)-1,1-dioxothian-3-yl]methanamine
PubChem CID63922853
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name[3-(5-ethyl-2-methylmorpholin-4-yl)-1,1-dioxothian-3-yl]methanamine
SMILESCCC1COC(C)CN1C1(CN)CCCS(=O)(=O)C1
InChIInChI=1S/C13H26N2O3S/c1-3-12-8-18-11(2)7-15(12)13(9-14)5-4-6-19(16,17)10-13/h11-12H,3-10,14H2,1-2H3
InChIKeyZDNXSUGAWDDMHO-UHFFFAOYSA-N
XLogP0.39
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(5-ethyl-2-methylmorpholin-4-yl)-1,1-dioxothian-3-yl]methanamine with MolForge

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Related Compounds

[3-(2-ethylpiperidin-1-yl)-1,1-dioxothian-3-yl]methanamine
CID 63921849
[1-ethyl-4-(5-ethyl-2-methylmorpholin-4-yl)piperidin-4-yl]methanamine
CID 61424029
[1-(2,5-dimethylmorpholin-4-yl)cycloheptyl]methanamine
CID 43544407
[3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,1-dioxothian-3-yl]methanamine
CID 79940771
[1-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]cyclohexyl]methanamine
CID 104678777
[1-(2,5-dimethylmorpholin-4-yl)cyclopropyl]methanamine
CID 106661059
[3-(8-azaspiro[4.5]decan-8-yl)-1,1-dioxothian-3-yl]methanamine
CID 63923648
[3-(4-cyclopropylpiperazin-1-yl)-1,1-dioxothian-3-yl]methanamine
CID 63923838
[4-(5-ethyl-2-methylmorpholin-4-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
CID 105365059
[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1-dioxothian-3-yl]methanamine
CID 65319426
[1-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]cyclobutyl]methanamine
CID 81170463
[1-(3-ethylmorpholin-4-yl)cycloheptyl]methanamine
CID 43613015

Frequently Asked Questions

What is the IUPAC name of [3-(5-ethyl-2-methylmorpholin-4-yl)-1,1-dioxothian-3-yl]methanamine?
The IUPAC name of [3-(5-ethyl-2-methylmorpholin-4-yl)-1,1-dioxothian-3-yl]methanamine (CID 63922853) is [3-(5-ethyl-2-methylmorpholin-4-yl)-1,1-dioxothian-3-yl]methanamine.
What is the SMILES notation for [3-(5-ethyl-2-methylmorpholin-4-yl)-1,1-dioxothian-3-yl]methanamine?
The canonical SMILES for [3-(5-ethyl-2-methylmorpholin-4-yl)-1,1-dioxothian-3-yl]methanamine is CCC1COC(C)CN1C1(CN)CCCS(=O)(=O)C1.
What is the InChIKey of [3-(5-ethyl-2-methylmorpholin-4-yl)-1,1-dioxothian-3-yl]methanamine?
The InChIKey is ZDNXSUGAWDDMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-3-12-8-18-11(2)7-15(12)13(9-14)5-4-6-19(16,17)10-13/h11-12H,3-10,14H2,1-2H3.
What are the key properties of [3-(5-ethyl-2-methylmorpholin-4-yl)-1,1-dioxothian-3-yl]methanamine?
[3-(5-ethyl-2-methylmorpholin-4-yl)-1,1-dioxothian-3-yl]methanamine has a molecular weight of 290.43 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-ethyl-2-methylmorpholin-4-yl)-1,1-dioxothian-3-yl]methanamine is sourced from PubChem (CID 63922853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).