N-(2-amino-2-hydroxyiminoethyl)-4-methoxy-N-methylthiophene-2-carboxamide

C9H13N3O3S — CID 81124563

IUPACN-(2-amino-2-hydroxyiminoethyl)-4-methoxy-N-methylthiophene-2-carboxamide
SMILESCOc1csc(C(=O)N(C)CC(N)=NO)c1
InChIInChI=1S/C9H13N3O3S/c1-12(4-8(10)11-14)9(13)7-3-6(15-2)5-16-7/h3,5,14H,4H2,1-2H3,(H2,10,11)
InChIKeyFQMNAUMDMDNILS-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.58
Rot. Bonds4

About N-(2-amino-2-hydroxyiminoethyl)-4-methoxy-N-methylthiophene-2-carboxamide

N-(2-amino-2-hydroxyiminoethyl)-4-methoxy-N-methylthiophene-2-carboxamide (PubChem CID 81124563) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-4-methoxy-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-4-methoxy-N-methylthiophene-2-carboxamide
PubChem CID81124563
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-4-methoxy-N-methylthiophene-2-carboxamide
SMILESCOc1csc(C(=O)N(C)CC(N)=NO)c1
InChIInChI=1S/C9H13N3O3S/c1-12(4-8(10)11-14)9(13)7-3-6(15-2)5-16-7/h3,5,14H,4H2,1-2H3,(H2,10,11)
InChIKeyFQMNAUMDMDNILS-UHFFFAOYSA-N
XLogP0.58
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-3-hydroxyiminopropyl)-4-methoxythiophene-2-carboxamide
CID 81124953
N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 81121733
N-(2-amino-2-sulfanylideneethyl)-4-methoxy-N-propan-2-ylthiophene-2-carboxamide
CID 81122323
4-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 81122974
N,N-bis(2-hydroxyethyl)-4-methoxythiophene-2-carboxamide
CID 81122072
N-[(5-bromothiophen-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 79467571
N-[(3-chlorocyclobutyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 81129766
N-(2-cyanopropyl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 79467466
N-[(3-aminophenyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 81116579
N-(2-amino-2-hydroxyiminoethyl)-5-chloro-2-methoxy-N-methylbenzamide
CID 76928902
ethyl 2-[(4-methoxythiophene-2-carbonyl)-propylamino]acetate
CID 79465658
N-(2-amino-2-hydroxyiminoethyl)-N-methylbenzamide
CID 76928946

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-4-methoxy-N-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-4-methoxy-N-methylthiophene-2-carboxamide (CID 81124563) is N-(2-amino-2-hydroxyiminoethyl)-4-methoxy-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-4-methoxy-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-4-methoxy-N-methylthiophene-2-carboxamide is COc1csc(C(=O)N(C)CC(N)=NO)c1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-4-methoxy-N-methylthiophene-2-carboxamide?
The InChIKey is FQMNAUMDMDNILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-12(4-8(10)11-14)9(13)7-3-6(15-2)5-16-7/h3,5,14H,4H2,1-2H3,(H2,10,11).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-4-methoxy-N-methylthiophene-2-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-4-methoxy-N-methylthiophene-2-carboxamide has a molecular weight of 243.29 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-4-methoxy-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 81124563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).