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

C14H26N2OS — CID 102743971

IUPAC2-[1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide
SMILESCC1(C)CN(CC2(CC(N)=S)CC2)CC(C)(C)O1
InChIInChI=1S/C14H26N2OS/c1-12(2)8-16(9-13(3,4)17-12)10-14(5-6-14)7-11(15)18/h5-10H2,1-4H3,(H2,15,18)
InChIKeyUXJMDCXFDJKHBP-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.33
Rot. Bonds4

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

2-[1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide (PubChem CID 102743971) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-[1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide.

Molecular Properties

Compound Name2-[1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide
PubChem CID102743971
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name2-[1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide
SMILESCC1(C)CN(CC2(CC(N)=S)CC2)CC(C)(C)O1
InChIInChI=1S/C14H26N2OS/c1-12(2)8-16(9-13(3,4)17-12)10-14(5-6-14)7-11(15)18/h5-10H2,1-4H3,(H2,15,18)
InChIKeyUXJMDCXFDJKHBP-UHFFFAOYSA-N
XLogP2.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.33
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-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide?
The IUPAC name of 2-[1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide (CID 102743971) is 2-[1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide.
What is the SMILES notation for 2-[1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide?
The canonical SMILES for 2-[1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide is CC1(C)CN(CC2(CC(N)=S)CC2)CC(C)(C)O1.
What is the InChIKey of 2-[1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide?
The InChIKey is UXJMDCXFDJKHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-12(2)8-16(9-13(3,4)17-12)10-14(5-6-14)7-11(15)18/h5-10H2,1-4H3,(H2,15,18).
What are the key properties of 2-[1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide?
2-[1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide has a molecular weight of 270.44 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide is sourced from PubChem (CID 102743971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).