[3-(3-ethylmorpholin-4-yl)-5-methylthiolan-3-yl]methanamine

C12H24N2OS — CID 79950103

IUPAC[3-(3-ethylmorpholin-4-yl)-5-methylthiolan-3-yl]methanamine
SMILESCCC1COCCN1C1(CN)CSC(C)C1
InChIInChI=1S/C12H24N2OS/c1-3-11-7-15-5-4-14(11)12(8-13)6-10(2)16-9-12/h10-11H,3-9,13H2,1-2H3
InChIKeyDEUALHFMDKKQND-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.32
Rot. Bonds3

About [3-(3-ethylmorpholin-4-yl)-5-methylthiolan-3-yl]methanamine

[3-(3-ethylmorpholin-4-yl)-5-methylthiolan-3-yl]methanamine (PubChem CID 79950103) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is [3-(3-ethylmorpholin-4-yl)-5-methylthiolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(3-ethylmorpholin-4-yl)-5-methylthiolan-3-yl]methanamine
PubChem CID79950103
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name[3-(3-ethylmorpholin-4-yl)-5-methylthiolan-3-yl]methanamine
SMILESCCC1COCCN1C1(CN)CSC(C)C1
InChIInChI=1S/C12H24N2OS/c1-3-11-7-15-5-4-14(11)12(8-13)6-10(2)16-9-12/h10-11H,3-9,13H2,1-2H3
InChIKeyDEUALHFMDKKQND-UHFFFAOYSA-N
XLogP1.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-ethylmorpholin-4-yl)cycloheptyl]methanamine
CID 43613015
[3-(3-ethylmorpholin-4-yl)-5,5-dimethylthian-3-yl]methanamine
CID 79958027
[1-ethyl-4-(3-ethylmorpholin-4-yl)piperidin-4-yl]methanamine
CID 43613025
[2-(3-ethylmorpholin-4-yl)-1,3-dihydroinden-2-yl]methanamine
CID 43809109
[3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine
CID 79950463
[1-(3-ethylmorpholin-4-yl)-3-methoxycyclohexyl]methanamine
CID 106872222
[1-(3-ethylmorpholin-4-yl)-2,4,4-trimethylcyclohexyl]methanamine
CID 81321303
[3-(azocan-1-yl)-5-methylthiolan-3-yl]methanamine
CID 79949507
[3-(2,4-dimethyl-1,4-diazepan-1-yl)-5-methylthiolan-3-yl]methanamine
CID 114086486
[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylthiolan-3-yl]methanamine
CID 79950832
[3-methyl-1-(3-methylmorpholin-4-yl)cyclobutyl]methanamine
CID 103562615
[1-(3-methylmorpholin-4-yl)cyclobutyl]methanamine
CID 79521252

Frequently Asked Questions

What is the IUPAC name of [3-(3-ethylmorpholin-4-yl)-5-methylthiolan-3-yl]methanamine?
The IUPAC name of [3-(3-ethylmorpholin-4-yl)-5-methylthiolan-3-yl]methanamine (CID 79950103) is [3-(3-ethylmorpholin-4-yl)-5-methylthiolan-3-yl]methanamine.
What is the SMILES notation for [3-(3-ethylmorpholin-4-yl)-5-methylthiolan-3-yl]methanamine?
The canonical SMILES for [3-(3-ethylmorpholin-4-yl)-5-methylthiolan-3-yl]methanamine is CCC1COCCN1C1(CN)CSC(C)C1.
What is the InChIKey of [3-(3-ethylmorpholin-4-yl)-5-methylthiolan-3-yl]methanamine?
The InChIKey is DEUALHFMDKKQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-3-11-7-15-5-4-14(11)12(8-13)6-10(2)16-9-12/h10-11H,3-9,13H2,1-2H3.
What are the key properties of [3-(3-ethylmorpholin-4-yl)-5-methylthiolan-3-yl]methanamine?
[3-(3-ethylmorpholin-4-yl)-5-methylthiolan-3-yl]methanamine has a molecular weight of 244.40 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethylmorpholin-4-yl)-5-methylthiolan-3-yl]methanamine is sourced from PubChem (CID 79950103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).