N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3-methoxythiophene-2-carboxamide

C11H17N3O3S — CID 81124193

IUPACN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3-methoxythiophene-2-carboxamide
SMILESCCN(CC/C(N)=N/O)C(=O)c1sccc1OC
InChIInChI=1S/C11H17N3O3S/c1-3-14(6-4-9(12)13-16)11(15)10-8(17-2)5-7-18-10/h5,7,16H,3-4,6H2,1-2H3,(H2,12,13)
InChIKeyOSJUWXBHWSDAJR-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.36
Rot. Bonds6

About N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3-methoxythiophene-2-carboxamide

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3-methoxythiophene-2-carboxamide (PubChem CID 81124193) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3-methoxythiophene-2-carboxamide
PubChem CID81124193
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3-methoxythiophene-2-carboxamide
SMILESCCN(CC/C(N)=N/O)C(=O)c1sccc1OC
InChIInChI=1S/C11H17N3O3S/c1-3-14(6-4-9(12)13-16)11(15)10-8(17-2)5-7-18-10/h5,7,16H,3-4,6H2,1-2H3,(H2,12,13)
InChIKeyOSJUWXBHWSDAJR-UHFFFAOYSA-N
XLogP1.36
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.36
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)-N-ethyl-3-methoxy-4-methylbenzamide
CID 76910609
N-(3-amino-3-hydroxyiminopropyl)-3-bromo-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 77007089
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-chloro-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 80640935
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2-fluoro-4-methoxybenzamide
CID 102884787
N-[(4-aminophenyl)methyl]-N-ethyl-3-methoxythiophene-2-carboxamide
CID 81116669
2-[2-(dimethylamino)ethyl-(3-methoxythiophene-2-carbonyl)amino]acetic acid
CID 113264821
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-4-iodobenzamide
CID 54993141
N-(2-hydroxyethyl)-3-methoxy-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 115772776
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3,4-dichloro-N-ethylbenzamide
CID 54992752
1-(3-methoxythiophen-2-yl)butan-1-one
CID 81118922
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylpyrazole-3-carboxamide
CID 76977761
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-5-chloro-N-ethyl-2-fluorobenzamide
CID 54992948

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3-methoxythiophene-2-carboxamide (CID 81124193) is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3-methoxythiophene-2-carboxamide is CCN(CC/C(N)=N/O)C(=O)c1sccc1OC.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3-methoxythiophene-2-carboxamide?
The InChIKey is OSJUWXBHWSDAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-3-14(6-4-9(12)13-16)11(15)10-8(17-2)5-7-18-10/h5,7,16H,3-4,6H2,1-2H3,(H2,12,13).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3-methoxythiophene-2-carboxamide?
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3-methoxythiophene-2-carboxamide has a molecular weight of 271.34 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 81124193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).