2,2,3,3,3-pentafluoro-N-(2-thiomorpholin-4-ylethyl)propanamide

C9H13F5N2OS — CID 114174018

IUPAC2,2,3,3,3-pentafluoro-N-(2-thiomorpholin-4-ylethyl)propanamide
SMILESO=C(NCCN1CCSCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H13F5N2OS/c10-8(11,9(12,13)14)7(17)15-1-2-16-3-5-18-6-4-16/h1-6H2,(H,15,17)
InChIKeyLNZSLUAVQSPEMX-UHFFFAOYSA-N
MW292.27 g/mol
LogP1.35
Rot. Bonds4

About 2,2,3,3,3-pentafluoro-N-(2-thiomorpholin-4-ylethyl)propanamide

2,2,3,3,3-pentafluoro-N-(2-thiomorpholin-4-ylethyl)propanamide (PubChem CID 114174018) has the molecular formula C9H13F5N2OS and a molecular weight of 292.27 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-(2-thiomorpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-(2-thiomorpholin-4-ylethyl)propanamide
PubChem CID114174018
Molecular FormulaC9H13F5N2OS
Molecular Weight292.27 g/mol
Exact Mass292.07
IUPAC Name2,2,3,3,3-pentafluoro-N-(2-thiomorpholin-4-ylethyl)propanamide
SMILESO=C(NCCN1CCSCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H13F5N2OS/c10-8(11,9(12,13)14)7(17)15-1-2-16-3-5-18-6-4-16/h1-6H2,(H,15,17)
InChIKeyLNZSLUAVQSPEMX-UHFFFAOYSA-N
XLogP1.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)propanamide
CID 106326717
N-[2-(azocan-1-yl)ethyl]-2,2,2-trifluoroacetamide
CID 580958
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 106326721
3,3,3-trifluoro-2-[(2-thiomorpholin-4-ylethylamino)methyl]propanoic acid
CID 106325978
(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 103813710
2-(2-thiomorpholin-4-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 106325255
3-(2-thiomorpholin-4-ylethylamino)propanamide
CID 106325237
2-amino-3-methyl-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 103813658
2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-morpholin-4-ylethyl)decanamide
CID 58855463
4-(2-thiomorpholin-4-ylethylamino)benzoic acid
CID 106325856
(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)pentanamide
CID 106325399
2-hydroxy-4-(2-thiomorpholin-4-ylethylcarbamoylamino)butanoic acid
CID 114173920

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-(2-thiomorpholin-4-ylethyl)propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-(2-thiomorpholin-4-ylethyl)propanamide (CID 114174018) is 2,2,3,3,3-pentafluoro-N-(2-thiomorpholin-4-ylethyl)propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-(2-thiomorpholin-4-ylethyl)propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-(2-thiomorpholin-4-ylethyl)propanamide is O=C(NCCN1CCSCC1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-(2-thiomorpholin-4-ylethyl)propanamide?
The InChIKey is LNZSLUAVQSPEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F5N2OS/c10-8(11,9(12,13)14)7(17)15-1-2-16-3-5-18-6-4-16/h1-6H2,(H,15,17).
What are the key properties of 2,2,3,3,3-pentafluoro-N-(2-thiomorpholin-4-ylethyl)propanamide?
2,2,3,3,3-pentafluoro-N-(2-thiomorpholin-4-ylethyl)propanamide has a molecular weight of 292.27 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-(2-thiomorpholin-4-ylethyl)propanamide is sourced from PubChem (CID 114174018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).