2-fluoro-2-methyl-N-(thiolan-3-yl)propanamide

C8H14FNOS — CID 130165186

IUPAC2-fluoro-2-methyl-N-(thiolan-3-yl)propanamide
SMILESCC(C)(F)C(=O)NC1CCSC1
InChIInChI=1S/C8H14FNOS/c1-8(2,9)7(11)10-6-3-4-12-5-6/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyHKRDATHDJHFYFH-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.36
Rot. Bonds2

About 2-fluoro-2-methyl-N-(thiolan-3-yl)propanamide

2-fluoro-2-methyl-N-(thiolan-3-yl)propanamide (PubChem CID 130165186) has the molecular formula C8H14FNOS and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-fluoro-2-methyl-N-(thiolan-3-yl)propanamide.

Molecular Properties

Compound Name2-fluoro-2-methyl-N-(thiolan-3-yl)propanamide
PubChem CID130165186
Molecular FormulaC8H14FNOS
Molecular Weight191.27 g/mol
Exact Mass191.08
IUPAC Name2-fluoro-2-methyl-N-(thiolan-3-yl)propanamide
SMILESCC(C)(F)C(=O)NC1CCSC1
InChIInChI=1S/C8H14FNOS/c1-8(2,9)7(11)10-6-3-4-12-5-6/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyHKRDATHDJHFYFH-UHFFFAOYSA-N
XLogP1.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-3-yl)propanamide
CID 103063066
2-bromo-2-methyl-N-(thiolan-3-yl)propanamide
CID 103062720
tert-butyl N-[(3S)-thiolan-3-yl]carbamate
CID 15148694
(2R)-2-amino-3,3-dimethyl-N-(thiolan-3-yl)butanamide
CID 103063073
2-fluoro-N-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 130165281
N-(4-aminocyclohexyl)-2-fluoro-2-methylpropanamide
CID 126982038
6-amino-4,4-dimethyl-N-(thiolan-3-yl)hexanamide
CID 103063106
2-fluoro-3-methyl-N-(thiolan-3-yl)butanamide
CID 130694647
2-cyclopropyl-N-(thiolan-3-yl)propanamide
CID 127000268
2-(aminomethyl)-4,4-dimethyl-N-(thiolan-3-yl)pentanamide
CID 107472858
(E)-4-methyl-N-(thiolan-3-yl)pent-2-enamide
CID 131242989
2-methyl-2-(thiolan-3-ylcarbamoylamino)butanoic acid
CID 103064032

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-N-(thiolan-3-yl)propanamide?
The IUPAC name of 2-fluoro-2-methyl-N-(thiolan-3-yl)propanamide (CID 130165186) is 2-fluoro-2-methyl-N-(thiolan-3-yl)propanamide.
What is the SMILES notation for 2-fluoro-2-methyl-N-(thiolan-3-yl)propanamide?
The canonical SMILES for 2-fluoro-2-methyl-N-(thiolan-3-yl)propanamide is CC(C)(F)C(=O)NC1CCSC1.
What is the InChIKey of 2-fluoro-2-methyl-N-(thiolan-3-yl)propanamide?
The InChIKey is HKRDATHDJHFYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNOS/c1-8(2,9)7(11)10-6-3-4-12-5-6/h6H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-fluoro-2-methyl-N-(thiolan-3-yl)propanamide?
2-fluoro-2-methyl-N-(thiolan-3-yl)propanamide has a molecular weight of 191.27 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-N-(thiolan-3-yl)propanamide is sourced from PubChem (CID 130165186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).