N-[(E)-(3-methylthiophen-2-yl)methylideneamino]pentanamide

C11H16N2OS — CID 6873587

IUPACN-[(E)-(3-methylthiophen-2-yl)methylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C/c1sccc1C
InChIInChI=1S/C11H16N2OS/c1-3-4-5-11(14)13-12-8-10-9(2)6-7-15-10/h6-8H,3-5H2,1-2H3,(H,13,14)/b12-8+
InChIKeyTZIASJARIQZMRU-XYOKQWHBSA-N
MW224.33 g/mol
LogP2.70
Rot. Bonds5

About N-[(E)-(3-methylthiophen-2-yl)methylideneamino]pentanamide

N-[(E)-(3-methylthiophen-2-yl)methylideneamino]pentanamide (PubChem CID 6873587) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-[(E)-(3-methylthiophen-2-yl)methylideneamino]pentanamide.

Molecular Properties

Compound NameN-[(E)-(3-methylthiophen-2-yl)methylideneamino]pentanamide
PubChem CID6873587
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-[(E)-(3-methylthiophen-2-yl)methylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C/c1sccc1C
InChIInChI=1S/C11H16N2OS/c1-3-4-5-11(14)13-12-8-10-9(2)6-7-15-10/h6-8H,3-5H2,1-2H3,(H,13,14)/b12-8+
InChIKeyTZIASJARIQZMRU-XYOKQWHBSA-N
XLogP2.70
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[(Z)-(3-methylthiophen-2-yl)methylideneamino]butanediamide
CID 6385345
3-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]butanamide
CID 3481612
3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]propanamide
CID 7064167
3-(3-methylidene-5-oxopyrazolidin-4-yl)-N-[(3-methylthiophen-2-yl)methylideneamino]propanamide
CID 4220480
N',N'-diethyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide
CID 94846890
2-(2,6-dimethylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 909241
3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-N-[(3-methylthiophen-2-yl)methylideneamino]propanamide
CID 5019917
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 9121577
N-[2-[(2E)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 43948582
2-(3,4-dimethylphenoxy)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 6023409
N-[(3-methylthiophen-2-yl)methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
CID 671297
N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide
CID 135509646

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methylthiophen-2-yl)methylideneamino]pentanamide?
The IUPAC name of N-[(E)-(3-methylthiophen-2-yl)methylideneamino]pentanamide (CID 6873587) is N-[(E)-(3-methylthiophen-2-yl)methylideneamino]pentanamide.
What is the SMILES notation for N-[(E)-(3-methylthiophen-2-yl)methylideneamino]pentanamide?
The canonical SMILES for N-[(E)-(3-methylthiophen-2-yl)methylideneamino]pentanamide is CCCCC(=O)N/N=C/c1sccc1C.
What is the InChIKey of N-[(E)-(3-methylthiophen-2-yl)methylideneamino]pentanamide?
The InChIKey is TZIASJARIQZMRU-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-3-4-5-11(14)13-12-8-10-9(2)6-7-15-10/h6-8H,3-5H2,1-2H3,(H,13,14)/b12-8+.
What are the key properties of N-[(E)-(3-methylthiophen-2-yl)methylideneamino]pentanamide?
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]pentanamide has a molecular weight of 224.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methylthiophen-2-yl)methylideneamino]pentanamide is sourced from PubChem (CID 6873587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).