3-methyl-5-oxo-N-propan-2-yl-4-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide

C11H17F3N2O2S — CID 53383071

IUPAC3-methyl-5-oxo-N-propan-2-yl-4-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1(C)CSCC(=O)N1CC(F)(F)F
InChIInChI=1S/C11H17F3N2O2S/c1-7(2)15-9(18)10(3)6-19-4-8(17)16(10)5-11(12,13)14/h7H,4-6H2,1-3H3,(H,15,18)
InChIKeyMYIWNCBURBJUBZ-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.41
Rot. Bonds3

About 3-methyl-5-oxo-N-propan-2-yl-4-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide

3-methyl-5-oxo-N-propan-2-yl-4-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide (PubChem CID 53383071) has the molecular formula C11H17F3N2O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 3-methyl-5-oxo-N-propan-2-yl-4-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-5-oxo-N-propan-2-yl-4-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide
PubChem CID53383071
Molecular FormulaC11H17F3N2O2S
Molecular Weight298.33 g/mol
Exact Mass298.10
IUPAC Name3-methyl-5-oxo-N-propan-2-yl-4-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1(C)CSCC(=O)N1CC(F)(F)F
InChIInChI=1S/C11H17F3N2O2S/c1-7(2)15-9(18)10(3)6-19-4-8(17)16(10)5-11(12,13)14/h7H,4-6H2,1-3H3,(H,15,18)
InChIKeyMYIWNCBURBJUBZ-UHFFFAOYSA-N
XLogP1.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(2-methylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383075
3-methyl-4-(3-methylbutyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383078
4-(2-methoxyethyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383072
2-Amino-3-(methylsulfanyl)-1-(piperazin-1-yl)propan-1-one
CID 82506609
3-methyl-4-(2-methylbutyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383073
4-cyclopropyl-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383079
N-methyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]piperidin-1-yl]acetamide
CID 38441371
N-[(2R)-3-(3-aminopropylsulfanyl)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 70085462
S-[(2S)-3-(cyclohexylamino)-2-(methylamino)-3-oxopropyl] 2,2,2-trifluoroethanethioate
CID 167209544
S-[2-[[(3S)-1-tert-butyl-5,5-difluoropiperidin-3-yl]amino]-2-oxoethyl] ethanethioate
CID 176340320
Propanamide, 2-(acetylamino)-N,N-diethyl-3-[(1-methylethyl)thio]-
CID 11207696
N-[4-oxo-2,2-bis(trifluoromethyl)-1,3-thiazinan-5-yl]acetamide
CID 21828903

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-N-propan-2-yl-4-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide?
The IUPAC name of 3-methyl-5-oxo-N-propan-2-yl-4-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide (CID 53383071) is 3-methyl-5-oxo-N-propan-2-yl-4-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for 3-methyl-5-oxo-N-propan-2-yl-4-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide?
The canonical SMILES for 3-methyl-5-oxo-N-propan-2-yl-4-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide is CC(C)NC(=O)C1(C)CSCC(=O)N1CC(F)(F)F.
What is the InChIKey of 3-methyl-5-oxo-N-propan-2-yl-4-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide?
The InChIKey is MYIWNCBURBJUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2S/c1-7(2)15-9(18)10(3)6-19-4-8(17)16(10)5-11(12,13)14/h7H,4-6H2,1-3H3,(H,15,18).
What are the key properties of 3-methyl-5-oxo-N-propan-2-yl-4-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide?
3-methyl-5-oxo-N-propan-2-yl-4-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide has a molecular weight of 298.33 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-N-propan-2-yl-4-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 53383071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).