2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide

C12H13F3N2OS — CID 66420511

IUPAC2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide
SMILESO=C(CC1CSCCN1)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H13F3N2OS/c13-9-3-7(4-10(14)12(9)15)17-11(18)5-8-6-19-2-1-16-8/h3-4,8,16H,1-2,5-6H2,(H,17,18)
InChIKeyZCTIFVQQQYHNAC-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.14
Rot. Bonds3

About 2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide

2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide (PubChem CID 66420511) has the molecular formula C12H13F3N2OS and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide
PubChem CID66420511
Molecular FormulaC12H13F3N2OS
Molecular Weight290.31 g/mol
Exact Mass290.07
IUPAC Name2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide
SMILESO=C(CC1CSCCN1)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H13F3N2OS/c13-9-3-7(4-10(14)12(9)15)17-11(18)5-8-6-19-2-1-16-8/h3-4,8,16H,1-2,5-6H2,(H,17,18)
InChIKeyZCTIFVQQQYHNAC-UHFFFAOYSA-N
XLogP2.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935785
N-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 115746725
N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420709
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935026
N-(4-cyclobutyloxy-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 119940156
4,5-difluoro-2-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 66421304
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3,4,5-trifluorophenyl)acetamide
CID 80518213
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938107
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
2-thiomorpholin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 66420248
N-(3-iodo-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66422026

Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide?
The IUPAC name of 2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide (CID 66420511) is 2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide.
What is the SMILES notation for 2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide?
The canonical SMILES for 2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide is O=C(CC1CSCCN1)Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide?
The InChIKey is ZCTIFVQQQYHNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2OS/c13-9-3-7(4-10(14)12(9)15)17-11(18)5-8-6-19-2-1-16-8/h3-4,8,16H,1-2,5-6H2,(H,17,18).
What are the key properties of 2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide?
2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide has a molecular weight of 290.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide is sourced from PubChem (CID 66420511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).