N-(1-aminooxypropan-2-yl)thiophene-2-carboxamide

C8H12N2O2S — CID 82040114

IUPACN-(1-aminooxypropan-2-yl)thiophene-2-carboxamide
SMILESCC(CON)NC(=O)c1cccs1
InChIInChI=1S/C8H12N2O2S/c1-6(5-12-9)10-8(11)7-3-2-4-13-7/h2-4,6H,5,9H2,1H3,(H,10,11)
InChIKeyOOGKSCVSXWRIRE-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.76
Rot. Bonds4

About N-(1-aminooxypropan-2-yl)thiophene-2-carboxamide

N-(1-aminooxypropan-2-yl)thiophene-2-carboxamide (PubChem CID 82040114) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is N-(1-aminooxypropan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-aminooxypropan-2-yl)thiophene-2-carboxamide
PubChem CID82040114
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC NameN-(1-aminooxypropan-2-yl)thiophene-2-carboxamide
SMILESCC(CON)NC(=O)c1cccs1
InChIInChI=1S/C8H12N2O2S/c1-6(5-12-9)10-8(11)7-3-2-4-13-7/h2-4,6H,5,9H2,1H3,(H,10,11)
InChIKeyOOGKSCVSXWRIRE-UHFFFAOYSA-N
XLogP0.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280
N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 81041290
N-[2-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide
CID 2837035
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
2-methyl-6-(thiophene-2-carbonylamino)heptanoic acid
CID 65285828
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
diethyl 2-(thiophene-2-carbonylamino)propanedioate
CID 43409057
N-[3-(1-methoxypropan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 18161069
[(2S)-4-methylpentan-2-yl] (2R)-2-(thiophene-2-carbonylamino)propanoate
CID 95572910
[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-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 51180809

Frequently Asked Questions

What is the IUPAC name of N-(1-aminooxypropan-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-aminooxypropan-2-yl)thiophene-2-carboxamide (CID 82040114) is N-(1-aminooxypropan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-aminooxypropan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-aminooxypropan-2-yl)thiophene-2-carboxamide is CC(CON)NC(=O)c1cccs1.
What is the InChIKey of N-(1-aminooxypropan-2-yl)thiophene-2-carboxamide?
The InChIKey is OOGKSCVSXWRIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-6(5-12-9)10-8(11)7-3-2-4-13-7/h2-4,6H,5,9H2,1H3,(H,10,11).
What are the key properties of N-(1-aminooxypropan-2-yl)thiophene-2-carboxamide?
N-(1-aminooxypropan-2-yl)thiophene-2-carboxamide has a molecular weight of 200.26 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminooxypropan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 82040114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).