2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide

C9H15F3N2OS — CID 80584821

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide
SMILESCC(N)(C(=O)NCC1CCCS1)C(F)(F)F
InChIInChI=1S/C9H15F3N2OS/c1-8(13,9(10,11)12)7(15)14-5-6-3-2-4-16-6/h6H,2-5,13H2,1H3,(H,14,15)
InChIKeyXBGJVRZZPQFGBV-UHFFFAOYSA-N
MW256.29 g/mol
LogP1.28
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide (PubChem CID 80584821) has the molecular formula C9H15F3N2OS and a molecular weight of 256.29 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide
PubChem CID80584821
Molecular FormulaC9H15F3N2OS
Molecular Weight256.29 g/mol
Exact Mass256.09
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide
SMILESCC(N)(C(=O)NCC1CCCS1)C(F)(F)F
InChIInChI=1S/C9H15F3N2OS/c1-8(13,9(10,11)12)7(15)14-5-6-3-2-4-16-6/h6H,2-5,13H2,1H3,(H,14,15)
InChIKeyXBGJVRZZPQFGBV-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide (CID 80584821) is 2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide is CC(N)(C(=O)NCC1CCCS1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide?
The InChIKey is XBGJVRZZPQFGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2OS/c1-8(13,9(10,11)12)7(15)14-5-6-3-2-4-16-6/h6H,2-5,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide has a molecular weight of 256.29 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide is sourced from PubChem (CID 80584821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).