N-cyclopropyl-N'-[(Z)-1-thiophen-2-ylethylideneamino]oxamide

C11H13N3O2S — CID 9352223

IUPACN-cyclopropyl-N'-[(Z)-1-thiophen-2-ylethylideneamino]oxamide
SMILESC/C(=N/NC(=O)C(=O)NC1CC1)c1cccs1
InChIInChI=1S/C11H13N3O2S/c1-7(9-3-2-6-17-9)13-14-11(16)10(15)12-8-4-5-8/h2-3,6,8H,4-5H2,1H3,(H,12,15)(H,14,16)/b13-7-
InChIKeyWSQFWCWEFWIGPS-QPEQYQDCSA-N
MW251.31 g/mol
LogP0.87
Rot. Bonds3

About N-cyclopropyl-N'-[(Z)-1-thiophen-2-ylethylideneamino]oxamide

N-cyclopropyl-N'-[(Z)-1-thiophen-2-ylethylideneamino]oxamide (PubChem CID 9352223) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-cyclopropyl-N'-[(Z)-1-thiophen-2-ylethylideneamino]oxamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-[(Z)-1-thiophen-2-ylethylideneamino]oxamide
PubChem CID9352223
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-cyclopropyl-N'-[(Z)-1-thiophen-2-ylethylideneamino]oxamide
SMILESC/C(=N/NC(=O)C(=O)NC1CC1)c1cccs1
InChIInChI=1S/C11H13N3O2S/c1-7(9-3-2-6-17-9)13-14-11(16)10(15)12-8-4-5-8/h2-3,6,8H,4-5H2,1H3,(H,12,15)(H,14,16)/b13-7-
InChIKeyWSQFWCWEFWIGPS-QPEQYQDCSA-N
XLogP0.87
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropanecarboxamide
CID 6340204
N'-[(E)-1-thiophen-2-ylethylideneamino]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 19659603
N-(2-chlorophenyl)-N'-[(E)-1-thiophen-2-ylethylideneamino]oxamide
CID 19660564
N-cyclopropyl-N'-[(Z)-1-pyridin-3-ylethylideneamino]oxamide
CID 9352199
N,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide
CID 19685885
5-cyclopropyl-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-3-carboxamide
CID 930299
N-cycloheptyl-2-oxo-2-thiophen-2-ylacetamide
CID 82119541
2-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
CID 6116253
2-phenyl-N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropane-1-carboxamide
CID 6370476
(1S,6R,7S)-1-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 98093244
(1S,6S,7R)-1-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 7276310
2-chloro-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5333978

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[(Z)-1-thiophen-2-ylethylideneamino]oxamide?
The IUPAC name of N-cyclopropyl-N'-[(Z)-1-thiophen-2-ylethylideneamino]oxamide (CID 9352223) is N-cyclopropyl-N'-[(Z)-1-thiophen-2-ylethylideneamino]oxamide.
What is the SMILES notation for N-cyclopropyl-N'-[(Z)-1-thiophen-2-ylethylideneamino]oxamide?
The canonical SMILES for N-cyclopropyl-N'-[(Z)-1-thiophen-2-ylethylideneamino]oxamide is C/C(=N/NC(=O)C(=O)NC1CC1)c1cccs1.
What is the InChIKey of N-cyclopropyl-N'-[(Z)-1-thiophen-2-ylethylideneamino]oxamide?
The InChIKey is WSQFWCWEFWIGPS-QPEQYQDCSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-7(9-3-2-6-17-9)13-14-11(16)10(15)12-8-4-5-8/h2-3,6,8H,4-5H2,1H3,(H,12,15)(H,14,16)/b13-7-.
What are the key properties of N-cyclopropyl-N'-[(Z)-1-thiophen-2-ylethylideneamino]oxamide?
N-cyclopropyl-N'-[(Z)-1-thiophen-2-ylethylideneamino]oxamide has a molecular weight of 251.31 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[(Z)-1-thiophen-2-ylethylideneamino]oxamide is sourced from PubChem (CID 9352223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).