2-[1-[(5-ethyl-2-methylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide

C13H24N2OS — CID 65497023

IUPAC2-[1-[(5-ethyl-2-methylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide
SMILESCCC1COC(C)CN1CC1(CC(N)=S)CC1
InChIInChI=1S/C13H24N2OS/c1-3-11-8-16-10(2)7-15(11)9-13(4-5-13)6-12(14)17/h10-11H,3-9H2,1-2H3,(H2,14,17)
InChIKeyDDFKFMNUCVICHO-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.94
Rot. Bonds5

About 2-[1-[(5-ethyl-2-methylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide

2-[1-[(5-ethyl-2-methylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide (PubChem CID 65497023) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-[1-[(5-ethyl-2-methylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide.

Molecular Properties

Compound Name2-[1-[(5-ethyl-2-methylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide
PubChem CID65497023
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name2-[1-[(5-ethyl-2-methylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide
SMILESCCC1COC(C)CN1CC1(CC(N)=S)CC1
InChIInChI=1S/C13H24N2OS/c1-3-11-8-16-10(2)7-15(11)9-13(4-5-13)6-12(14)17/h10-11H,3-9H2,1-2H3,(H2,14,17)
InChIKeyDDFKFMNUCVICHO-UHFFFAOYSA-N
XLogP1.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[1-[(5-ethyl-2-methylmorpholin-4-yl)methyl]cyclopentyl]-N-methylmethanamine
CID 55056063
N-[[1-[(5-ethyl-2-methylmorpholin-4-yl)methyl]cyclopentyl]methyl]ethanamine
CID 62259335
2-[1-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclopropyl]ethanethioamide
CID 114593382
[1-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]cyclobutyl]methanamine
CID 81170463
3-(5-ethyl-2-methylmorpholin-4-yl)propan-1-ol
CID 60692406
[1-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]cyclohexyl]methanamine
CID 104678777
5-ethyl-2-methyl-4-(oxiran-2-ylmethyl)morpholine
CID 61424186
3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]pyridine-2-carbothioamide
CID 62893281
N-[[3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 62258812
5-ethyl-4-(2-fluoroethyl)-2-methylmorpholine
CID 130685633
5-ethyl-2-methyl-4-[(2-propylpyrrolidin-2-yl)methyl]morpholine
CID 106976297
5-(5-ethyl-2-methylmorpholin-4-yl)pentan-1-ol
CID 62229159

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-ethyl-2-methylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide?
The IUPAC name of 2-[1-[(5-ethyl-2-methylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide (CID 65497023) is 2-[1-[(5-ethyl-2-methylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide.
What is the SMILES notation for 2-[1-[(5-ethyl-2-methylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide?
The canonical SMILES for 2-[1-[(5-ethyl-2-methylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide is CCC1COC(C)CN1CC1(CC(N)=S)CC1.
What is the InChIKey of 2-[1-[(5-ethyl-2-methylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide?
The InChIKey is DDFKFMNUCVICHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-3-11-8-16-10(2)7-15(11)9-13(4-5-13)6-12(14)17/h10-11H,3-9H2,1-2H3,(H2,14,17).
What are the key properties of 2-[1-[(5-ethyl-2-methylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide?
2-[1-[(5-ethyl-2-methylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide has a molecular weight of 256.41 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-ethyl-2-methylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide is sourced from PubChem (CID 65497023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).