N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-4-methoxythiophene-2-carboxamide

C11H15N3O3S — CID 81124648

IUPACN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NC(C(N)=NO)C2CC2)c1
InChIInChI=1S/C11H15N3O3S/c1-17-7-4-8(18-5-7)11(15)13-9(6-2-3-6)10(12)14-16/h4-6,9,16H,2-3H2,1H3,(H2,12,14)(H,13,15)
InChIKeyRLYISMLWCQXSOX-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.01
Rot. Bonds5

About N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-4-methoxythiophene-2-carboxamide

N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-4-methoxythiophene-2-carboxamide (PubChem CID 81124648) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-4-methoxythiophene-2-carboxamide
PubChem CID81124648
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC NameN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NC(C(N)=NO)C2CC2)c1
InChIInChI=1S/C11H15N3O3S/c1-17-7-4-8(18-5-7)11(15)13-9(6-2-3-6)10(12)14-16/h4-6,9,16H,2-3H2,1H3,(H2,12,14)(H,13,15)
InChIKeyRLYISMLWCQXSOX-UHFFFAOYSA-N
XLogP1.01
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.01
H-Bond Donors ≤ 53
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-(2-amino-1-cyclopropylethyl)-4-methoxythiophene-2-carboxamide;hydrochloride
CID 119615925
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxybenzamide
CID 77038556
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)thiadiazole-5-carboxamide
CID 77060495
N-(4-hydroxybutan-2-yl)-4-methoxythiophene-2-carboxamide
CID 115283653
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-5-bromothiophene-2-carboxamide
CID 77039239
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-hydroxy-3-methoxybenzamide
CID 77038559
N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103404961
N-(3-amino-3-hydroxyiminopropyl)-4-methoxythiophene-2-carboxamide
CID 81124953
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-4-methoxythiophene-2-carboxamide
CID 81121736
N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-methoxythiophene-2-carboxamide
CID 71865619
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)acetamide
CID 77038392
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 77038794

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-4-methoxythiophene-2-carboxamide (CID 81124648) is N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-4-methoxythiophene-2-carboxamide is COc1csc(C(=O)NC(C(N)=NO)C2CC2)c1.
What is the InChIKey of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-4-methoxythiophene-2-carboxamide?
The InChIKey is RLYISMLWCQXSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-17-7-4-8(18-5-7)11(15)13-9(6-2-3-6)10(12)14-16/h4-6,9,16H,2-3H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-4-methoxythiophene-2-carboxamide?
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-4-methoxythiophene-2-carboxamide has a molecular weight of 269.33 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 81124648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).