N-[2-(dimethylamino)-2-oxoethyl]-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide

C12H20F3N3O2S — CID 66420075

IUPACN-[2-(dimethylamino)-2-oxoethyl]-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)CC1CSCCN1
InChIInChI=1S/C12H20F3N3O2S/c1-17(2)11(20)6-18(8-12(13,14)15)10(19)5-9-7-21-4-3-16-9/h9,16H,3-8H2,1-2H3
InChIKeyUMRVHRPZKIPGRV-UHFFFAOYSA-N
MW327.37 g/mol
LogP0.56
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxoethyl]-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide

N-[2-(dimethylamino)-2-oxoethyl]-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 66420075) has the molecular formula C12H20F3N3O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID66420075
Molecular FormulaC12H20F3N3O2S
Molecular Weight327.37 g/mol
Exact Mass327.12
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)CC1CSCCN1
InChIInChI=1S/C12H20F3N3O2S/c1-17(2)11(20)6-18(8-12(13,14)15)10(19)5-9-7-21-4-3-16-9/h9,16H,3-8H2,1-2H3
InChIKeyUMRVHRPZKIPGRV-UHFFFAOYSA-N
XLogP0.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-oxo-N-propan-2-yl-4-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide
CID 53383071
3,6-Bis(2-(methylthio)ethyl)-2,5-piperazinedione
CID 169842
(3S,6S)-3,6-bis(2-methylsulfanylethyl)piperazine-2,5-dione
CID 6993079
N-methyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]piperidin-1-yl]acetamide
CID 38441371
N-(3-methyl-1-oxo-1-thiomorpholin-4-ylbutan-2-yl)acetamide
CID 53518579
2,2,2-trifluoro-N-[(7R)-7-methyl-5-oxo-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepin-4-yl]acetamide
CID 54493766
(2S)-2-amino-N-(2-piperidin-1-ylethyl)-5-(3,3,3-trifluoro-2-oxopropyl)sulfanylpentanamide
CID 68939583
(2S)-2-(2-piperidin-1-ylethylamino)-5-(3,3,3-trifluoro-2-oxopropyl)sulfanylpentanamide
CID 68939584
2-Methyl-5-oxo-8-(trifluoromethyl)-1-thia-4,7-diazacycloundec-9-yne-3-carboxamide
CID 145480664
S-[(2S)-3-(cyclohexylamino)-2-(methylamino)-3-oxopropyl] 2,2,2-trifluoroethanethioate
CID 167209544
2-amino-N-butyl-4-(4,4,4-trifluorobutylsulfanyl)butanamide
CID 170770590
N-[4-oxo-2,2-bis(trifluoromethyl)-1,3-thiazinan-5-yl]acetamide
CID 21828903

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 66420075) is N-[2-(dimethylamino)-2-oxoethyl]-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide is CN(C)C(=O)CN(CC(F)(F)F)C(=O)CC1CSCCN1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is UMRVHRPZKIPGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2S/c1-17(2)11(20)6-18(8-12(13,14)15)10(19)5-9-7-21-4-3-16-9/h9,16H,3-8H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
N-[2-(dimethylamino)-2-oxoethyl]-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 327.37 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 66420075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).