N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide

C8H10N2O2S — CID 130174839

IUPACN-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESC[C@@H](NC(=O)c1cccs1)C(N)=O
InChIInChI=1S/C8H10N2O2S/c1-5(7(9)11)10-8(12)6-3-2-4-13-6/h2-5H,1H3,(H2,9,11)(H,10,12)/t5-/m1/s1
InChIKeyQXAAIMLSXFBSFU-RXMQYKEDSA-N
MW198.25 g/mol
LogP0.35
Rot. Bonds3

About N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 130174839) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID130174839
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC NameN-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESC[C@@H](NC(=O)c1cccs1)C(N)=O
InChIInChI=1S/C8H10N2O2S/c1-5(7(9)11)10-8(12)6-3-2-4-13-6/h2-5H,1H3,(H2,9,11)(H,10,12)/t5-/m1/s1
InChIKeyQXAAIMLSXFBSFU-RXMQYKEDSA-N
XLogP0.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
[1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]urea
CID 18164638
(2S)-3-methyl-2-[2-(thiophene-2-carbonylamino)propanoylamino]butanoic acid
CID 61137613
[(2S)-4-methylpentan-2-yl] (2R)-2-(thiophene-2-carbonylamino)propanoate
CID 95572910
N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide
CID 51305133
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2R)-2-(thiophene-2-carbonylamino)propanoate
CID 97003900
prop-2-enyl (2S)-2-(thiophene-2-carbonylamino)propanoate
CID 97003904
N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 81041290
N-[1-[(3-hydroxy-2-methylbutan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 115884647
(1-amino-1-oxopropan-2-yl) 3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 45354563
methyl 3-methyl-2-[2-(thiophene-2-carbonylamino)propanoylamino]butanoate
CID 43409419

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 130174839) is N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide is C[C@@H](NC(=O)c1cccs1)C(N)=O.
What is the InChIKey of N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is QXAAIMLSXFBSFU-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-5(7(9)11)10-8(12)6-3-2-4-13-6/h2-5H,1H3,(H2,9,11)(H,10,12)/t5-/m1/s1.
What are the key properties of N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 198.25 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 130174839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).