N-(1-amino-3-methoxy-1-oxopropan-2-yl)thiophene-3-carboxamide

C9H12N2O3S — CID 75391967

IUPACN-(1-amino-3-methoxy-1-oxopropan-2-yl)thiophene-3-carboxamide
SMILESCOCC(NC(=O)c1ccsc1)C(N)=O
InChIInChI=1S/C9H12N2O3S/c1-14-4-7(8(10)12)11-9(13)6-2-3-15-5-6/h2-3,5,7H,4H2,1H3,(H2,10,12)(H,11,13)
InChIKeyZMCOGELDMUAHPE-UHFFFAOYSA-N
MW228.27 g/mol
LogP-0.02
Rot. Bonds5

About N-(1-amino-3-methoxy-1-oxopropan-2-yl)thiophene-3-carboxamide

N-(1-amino-3-methoxy-1-oxopropan-2-yl)thiophene-3-carboxamide (PubChem CID 75391967) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is N-(1-amino-3-methoxy-1-oxopropan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methoxy-1-oxopropan-2-yl)thiophene-3-carboxamide
PubChem CID75391967
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC NameN-(1-amino-3-methoxy-1-oxopropan-2-yl)thiophene-3-carboxamide
SMILESCOCC(NC(=O)c1ccsc1)C(N)=O
InChIInChI=1S/C9H12N2O3S/c1-14-4-7(8(10)12)11-9(13)6-2-3-15-5-6/h2-3,5,7H,4H2,1H3,(H2,10,12)(H,11,13)
InChIKeyZMCOGELDMUAHPE-UHFFFAOYSA-N
XLogP-0.02
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methoxy-1-oxopropan-2-yl)thiophene-3-carboxamide?
The IUPAC name of N-(1-amino-3-methoxy-1-oxopropan-2-yl)thiophene-3-carboxamide (CID 75391967) is N-(1-amino-3-methoxy-1-oxopropan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(1-amino-3-methoxy-1-oxopropan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(1-amino-3-methoxy-1-oxopropan-2-yl)thiophene-3-carboxamide is COCC(NC(=O)c1ccsc1)C(N)=O.
What is the InChIKey of N-(1-amino-3-methoxy-1-oxopropan-2-yl)thiophene-3-carboxamide?
The InChIKey is ZMCOGELDMUAHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-14-4-7(8(10)12)11-9(13)6-2-3-15-5-6/h2-3,5,7H,4H2,1H3,(H2,10,12)(H,11,13).
What are the key properties of N-(1-amino-3-methoxy-1-oxopropan-2-yl)thiophene-3-carboxamide?
N-(1-amino-3-methoxy-1-oxopropan-2-yl)thiophene-3-carboxamide has a molecular weight of 228.27 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methoxy-1-oxopropan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 75391967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).