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

C8H13F3N2OS — CID 103063066

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-3-yl)propanamide
SMILESCC(N)(C(=O)NC1CCSC1)C(F)(F)F
InChIInChI=1S/C8H13F3N2OS/c1-7(12,8(9,10)11)6(14)13-5-2-3-15-4-5/h5H,2-4,12H2,1H3,(H,13,14)
InChIKeyNRQWBXNHBGNGCO-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.89
Rot. Bonds2

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

2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-3-yl)propanamide (PubChem CID 103063066) has the molecular formula C8H13F3N2OS and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-3-yl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-3-yl)propanamide
PubChem CID103063066
Molecular FormulaC8H13F3N2OS
Molecular Weight242.27 g/mol
Exact Mass242.07
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-3-yl)propanamide
SMILESCC(N)(C(=O)NC1CCSC1)C(F)(F)F
InChIInChI=1S/C8H13F3N2OS/c1-7(12,8(9,10)11)6(14)13-5-2-3-15-4-5/h5H,2-4,12H2,1H3,(H,13,14)
InChIKeyNRQWBXNHBGNGCO-UHFFFAOYSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-2-methyl-N-(thiolan-3-yl)propanamide
CID 130165186
2-bromo-2-methyl-N-(thiolan-3-yl)propanamide
CID 103062720
4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 79805526
2-amino-N-(1-tert-butylpiperidin-4-yl)-3,3,3-trifluoro-2-methylpropanamide
CID 79805040
(2R)-2-amino-3,3-dimethyl-N-(thiolan-3-yl)butanamide
CID 103063073
2-amino-N-(2,2-diethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide
CID 83028310
tert-butyl N-[(3S)-thiolan-3-yl]carbamate
CID 15148694
6-amino-4,4-dimethyl-N-(thiolan-3-yl)hexanamide
CID 103063106
2-amino-3,3,3-trifluoro-2-methyl-N-(1-propylpiperidin-4-yl)propanamide
CID 79805453
2-(aminomethyl)-4,4-dimethyl-N-(thiolan-3-yl)pentanamide
CID 107472858
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79797691
2-fluoro-3-methyl-N-(thiolan-3-yl)butanamide
CID 130694647

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-3-yl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-3-yl)propanamide (CID 103063066) is 2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-3-yl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-3-yl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-3-yl)propanamide is CC(N)(C(=O)NC1CCSC1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-3-yl)propanamide?
The InChIKey is NRQWBXNHBGNGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2OS/c1-7(12,8(9,10)11)6(14)13-5-2-3-15-4-5/h5H,2-4,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-3-yl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-3-yl)propanamide has a molecular weight of 242.27 g/mol, XLogP of 0.89, 2 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-3-yl)propanamide is sourced from PubChem (CID 103063066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).