2-[1-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide

C13H24N2OS — CID 65496816

IUPAC2-[1-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide
SMILESCC1CN(CC2(CC(N)=S)CC2)CC(C)(C)O1
InChIInChI=1S/C13H24N2OS/c1-10-7-15(8-12(2,3)16-10)9-13(4-5-13)6-11(14)17/h10H,4-9H2,1-3H3,(H2,14,17)
InChIKeySTNYSMPBNUIMEI-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.94
Rot. Bonds4

About 2-[1-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide

2-[1-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide (PubChem CID 65496816) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-[1-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide.

Molecular Properties

Compound Name2-[1-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide
PubChem CID65496816
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name2-[1-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide
SMILESCC1CN(CC2(CC(N)=S)CC2)CC(C)(C)O1
InChIInChI=1S/C13H24N2OS/c1-10-7-15(8-12(2,3)16-10)9-13(4-5-13)6-11(14)17/h10H,4-9H2,1-3H3,(H2,14,17)
InChIKeySTNYSMPBNUIMEI-UHFFFAOYSA-N
XLogP1.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide?
The IUPAC name of 2-[1-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide (CID 65496816) is 2-[1-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide.
What is the SMILES notation for 2-[1-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide?
The canonical SMILES for 2-[1-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide is CC1CN(CC2(CC(N)=S)CC2)CC(C)(C)O1.
What is the InChIKey of 2-[1-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide?
The InChIKey is STNYSMPBNUIMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-10-7-15(8-12(2,3)16-10)9-13(4-5-13)6-11(14)17/h10H,4-9H2,1-3H3,(H2,14,17).
What are the key properties of 2-[1-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide?
2-[1-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide has a molecular weight of 256.41 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide is sourced from PubChem (CID 65496816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).