2-(dimethylamino)-N-[(E)-1-thiophen-2-ylbutylideneamino]acetamide

C12H19N3OS — CID 15703313

IUPAC2-(dimethylamino)-N-[(E)-1-thiophen-2-ylbutylideneamino]acetamide
SMILESCCC/C(=N\NC(=O)CN(C)C)c1cccs1
InChIInChI=1S/C12H19N3OS/c1-4-6-10(11-7-5-8-17-11)13-14-12(16)9-15(2)3/h5,7-8H,4,6,9H2,1-3H3,(H,14,16)/b13-10+
InChIKeyBNNPKEUOQAYDIH-JLHYYAGUSA-N
MW253.37 g/mol
LogP1.93
Rot. Bonds6

About 2-(dimethylamino)-N-[(E)-1-thiophen-2-ylbutylideneamino]acetamide

2-(dimethylamino)-N-[(E)-1-thiophen-2-ylbutylideneamino]acetamide (PubChem CID 15703313) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(E)-1-thiophen-2-ylbutylideneamino]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(E)-1-thiophen-2-ylbutylideneamino]acetamide
PubChem CID15703313
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-(dimethylamino)-N-[(E)-1-thiophen-2-ylbutylideneamino]acetamide
SMILESCCC/C(=N\NC(=O)CN(C)C)c1cccs1
InChIInChI=1S/C12H19N3OS/c1-4-6-10(11-7-5-8-17-11)13-14-12(16)9-15(2)3/h5,7-8H,4,6,9H2,1-3H3,(H,14,16)/b13-10+
InChIKeyBNNPKEUOQAYDIH-JLHYYAGUSA-N
XLogP1.93
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(E)-1-thiophen-2-ylbutylideneamino]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[(E)-1-thiophen-2-ylbutylideneamino]acetamide (CID 15703313) is 2-(dimethylamino)-N-[(E)-1-thiophen-2-ylbutylideneamino]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(E)-1-thiophen-2-ylbutylideneamino]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[(E)-1-thiophen-2-ylbutylideneamino]acetamide is CCC/C(=N\NC(=O)CN(C)C)c1cccs1.
What is the InChIKey of 2-(dimethylamino)-N-[(E)-1-thiophen-2-ylbutylideneamino]acetamide?
The InChIKey is BNNPKEUOQAYDIH-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-4-6-10(11-7-5-8-17-11)13-14-12(16)9-15(2)3/h5,7-8H,4,6,9H2,1-3H3,(H,14,16)/b13-10+.
What are the key properties of 2-(dimethylamino)-N-[(E)-1-thiophen-2-ylbutylideneamino]acetamide?
2-(dimethylamino)-N-[(E)-1-thiophen-2-ylbutylideneamino]acetamide has a molecular weight of 253.37 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(E)-1-thiophen-2-ylbutylideneamino]acetamide is sourced from PubChem (CID 15703313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).