N-(3-ethoxypropyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide

C13H23F3N2O2S — CID 66421851

IUPACN-(3-ethoxypropyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)CC1CSCCN1
InChIInChI=1S/C13H23F3N2O2S/c1-2-20-6-3-5-18(10-13(14,15)16)12(19)8-11-9-21-7-4-17-11/h11,17H,2-10H2,1H3
InChIKeyGGFLCPJCGVVYFI-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.90
Rot. Bonds8

About N-(3-ethoxypropyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide

N-(3-ethoxypropyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 66421851) has the molecular formula C13H23F3N2O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID66421851
Molecular FormulaC13H23F3N2O2S
Molecular Weight328.40 g/mol
Exact Mass328.14
IUPAC NameN-(3-ethoxypropyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)CC1CSCCN1
InChIInChI=1S/C13H23F3N2O2S/c1-2-20-6-3-5-18(10-13(14,15)16)12(19)8-11-9-21-7-4-17-11/h11,17H,2-10H2,1H3
InChIKeyGGFLCPJCGVVYFI-UHFFFAOYSA-N
XLogP1.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 66421851) is N-(3-ethoxypropyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide is CCOCCCN(CC(F)(F)F)C(=O)CC1CSCCN1.
What is the InChIKey of N-(3-ethoxypropyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GGFLCPJCGVVYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2S/c1-2-20-6-3-5-18(10-13(14,15)16)12(19)8-11-9-21-7-4-17-11/h11,17H,2-10H2,1H3.
What are the key properties of N-(3-ethoxypropyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
N-(3-ethoxypropyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 328.40 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 66421851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).