N-cyclopentyl-N'-[(4-methylsulfanylphenyl)methylideneamino]oxamide

C15H19N3O2S — CID 5171062

IUPACN-cyclopentyl-N'-[(4-methylsulfanylphenyl)methylideneamino]oxamide
SMILESCSc1ccc(C=NNC(=O)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C15H19N3O2S/c1-21-13-8-6-11(7-9-13)10-16-18-15(20)14(19)17-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H,17,19)(H,18,20)
InChIKeyPMHFMUXFIKCBKE-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.92
Rot. Bonds4

About N-cyclopentyl-N'-[(4-methylsulfanylphenyl)methylideneamino]oxamide

N-cyclopentyl-N'-[(4-methylsulfanylphenyl)methylideneamino]oxamide (PubChem CID 5171062) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-cyclopentyl-N'-[(4-methylsulfanylphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-[(4-methylsulfanylphenyl)methylideneamino]oxamide
PubChem CID5171062
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-cyclopentyl-N'-[(4-methylsulfanylphenyl)methylideneamino]oxamide
SMILESCSc1ccc(C=NNC(=O)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C15H19N3O2S/c1-21-13-8-6-11(7-9-13)10-16-18-15(20)14(19)17-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H,17,19)(H,18,20)
InChIKeyPMHFMUXFIKCBKE-UHFFFAOYSA-N
XLogP1.92
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.92
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-cyclopentyl-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 136863405
1-cyclohexyl-3-[(4-methylsulfanylphenyl)methylideneamino]thiourea
CID 5149342
N'-[(Z)-(4-bromophenyl)methylideneamino]-N-cyclohexyloxamide
CID 94844327
methyl 4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
CID 8899268
N-cycloheptyl-N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxamide
CID 6290483
N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-cyclohexyloxamide
CID 94863520
N-cyclopropyl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988925
N'-[(Z)-(3-bromophenyl)methylideneamino]-N-cyclohexyloxamide
CID 94844326
N-cycloheptyl-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 4678168
N-cycloheptyl-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 135607606
N-cyclopentyl-N'-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide
CID 21211563
4-(cyclohexanecarbonylamino)-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 4509992

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-[(4-methylsulfanylphenyl)methylideneamino]oxamide?
The IUPAC name of N-cyclopentyl-N'-[(4-methylsulfanylphenyl)methylideneamino]oxamide (CID 5171062) is N-cyclopentyl-N'-[(4-methylsulfanylphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-cyclopentyl-N'-[(4-methylsulfanylphenyl)methylideneamino]oxamide?
The canonical SMILES for N-cyclopentyl-N'-[(4-methylsulfanylphenyl)methylideneamino]oxamide is CSc1ccc(C=NNC(=O)C(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-N'-[(4-methylsulfanylphenyl)methylideneamino]oxamide?
The InChIKey is PMHFMUXFIKCBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-21-13-8-6-11(7-9-13)10-16-18-15(20)14(19)17-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-cyclopentyl-N'-[(4-methylsulfanylphenyl)methylideneamino]oxamide?
N-cyclopentyl-N'-[(4-methylsulfanylphenyl)methylideneamino]oxamide has a molecular weight of 305.40 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-[(4-methylsulfanylphenyl)methylideneamino]oxamide is sourced from PubChem (CID 5171062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).