2-(2-thiomorpholin-4-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide

C11H20F3N3OS — CID 106325255

IUPAC2-(2-thiomorpholin-4-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCCN1CCSCC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H20F3N3OS/c1-9(10(18)16-8-11(12,13)14)15-2-3-17-4-6-19-7-5-17/h9,15H,2-8H2,1H3,(H,16,18)
InChIKeyYIAHBATXUJWNHH-UHFFFAOYSA-N
MW299.36 g/mol
LogP0.69
Rot. Bonds6

About 2-(2-thiomorpholin-4-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide

2-(2-thiomorpholin-4-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 106325255) has the molecular formula C11H20F3N3OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-(2-thiomorpholin-4-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(2-thiomorpholin-4-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID106325255
Molecular FormulaC11H20F3N3OS
Molecular Weight299.36 g/mol
Exact Mass299.13
IUPAC Name2-(2-thiomorpholin-4-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCCN1CCSCC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H20F3N3OS/c1-9(10(18)16-8-11(12,13)14)15-2-3-17-4-6-19-7-5-17/h9,15H,2-8H2,1H3,(H,16,18)
InChIKeyYIAHBATXUJWNHH-UHFFFAOYSA-N
XLogP0.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(2-thiomorpholin-4-ylethylamino)propanamide
CID 106325726
ethyl 2-(2-thiomorpholin-4-ylethylamino)propanoate
CID 106325112
N-phenyl-2-(2-thiomorpholin-4-ylethylamino)propanamide
CID 106325114
2-(2-ethylsulfinylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 113494695
1-morpholin-4-yl-2-(2-thiomorpholin-4-ylethylamino)propan-1-one
CID 106325630
2-amino-3-methyl-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 103813658
2,2,3,3,3-pentafluoro-N-(2-thiomorpholin-4-ylethyl)propanamide
CID 114174018
(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 103813710
2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574816
2-[(1-methylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 103724720
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115571067
2-[2-(cyclopropylmethoxy)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 113233536

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiomorpholin-4-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(2-thiomorpholin-4-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide (CID 106325255) is 2-(2-thiomorpholin-4-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(2-thiomorpholin-4-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(2-thiomorpholin-4-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide is CC(NCCN1CCSCC1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-thiomorpholin-4-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is YIAHBATXUJWNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3OS/c1-9(10(18)16-8-11(12,13)14)15-2-3-17-4-6-19-7-5-17/h9,15H,2-8H2,1H3,(H,16,18).
What are the key properties of 2-(2-thiomorpholin-4-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
2-(2-thiomorpholin-4-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 299.36 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiomorpholin-4-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 106325255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).