N-[(2S)-1-amino-1-oxopropan-2-yl]-3-fluorothiophene-2-carboxamide

C8H9FN2O2S — CID 130594260

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-3-fluorothiophene-2-carboxamide
SMILESC[C@H](NC(=O)c1sccc1F)C(N)=O
InChIInChI=1S/C8H9FN2O2S/c1-4(7(10)12)11-8(13)6-5(9)2-3-14-6/h2-4H,1H3,(H2,10,12)(H,11,13)/t4-/m0/s1
InChIKeyUMGVDJAKMCRWHD-BYPYZUCNSA-N
MW216.24 g/mol
LogP0.49
Rot. Bonds3

About N-[(2S)-1-amino-1-oxopropan-2-yl]-3-fluorothiophene-2-carboxamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-3-fluorothiophene-2-carboxamide (PubChem CID 130594260) has the molecular formula C8H9FN2O2S and a molecular weight of 216.24 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-3-fluorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-3-fluorothiophene-2-carboxamide
PubChem CID130594260
Molecular FormulaC8H9FN2O2S
Molecular Weight216.24 g/mol
Exact Mass216.04
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-3-fluorothiophene-2-carboxamide
SMILESC[C@H](NC(=O)c1sccc1F)C(N)=O
InChIInChI=1S/C8H9FN2O2S/c1-4(7(10)12)11-8(13)6-5(9)2-3-14-6/h2-4H,1H3,(H2,10,12)(H,11,13)/t4-/m0/s1
InChIKeyUMGVDJAKMCRWHD-BYPYZUCNSA-N
XLogP0.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-fluorothiophene-2-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-fluorothiophene-2-carboxamide (CID 130594260) is N-[(2S)-1-amino-1-oxopropan-2-yl]-3-fluorothiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-fluorothiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-fluorothiophene-2-carboxamide is C[C@H](NC(=O)c1sccc1F)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-fluorothiophene-2-carboxamide?
The InChIKey is UMGVDJAKMCRWHD-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H9FN2O2S/c1-4(7(10)12)11-8(13)6-5(9)2-3-14-6/h2-4H,1H3,(H2,10,12)(H,11,13)/t4-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-fluorothiophene-2-carboxamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-fluorothiophene-2-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-fluorothiophene-2-carboxamide is sourced from PubChem (CID 130594260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).