N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide

C12H18N2OS — CID 115599497

IUPACN-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNCCc1cccs1)C1CC1
InChIInChI=1S/C12H18N2OS/c15-12(10-3-4-10)14-8-7-13-6-5-11-2-1-9-16-11/h1-2,9-10,13H,3-8H2,(H,14,15)
InChIKeyVFZTXMHLODYSFF-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.41
Rot. Bonds7

About N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide

N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide (PubChem CID 115599497) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide
PubChem CID115599497
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNCCc1cccs1)C1CC1
InChIInChI=1S/C12H18N2OS/c15-12(10-3-4-10)14-8-7-13-6-5-11-2-1-9-16-11/h1-2,9-10,13H,3-8H2,(H,14,15)
InChIKeyVFZTXMHLODYSFF-UHFFFAOYSA-N
XLogP1.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
N-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 75525535
4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 79527612
N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]cyclopropanecarboxamide
CID 113227942
N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119270431
N-[3-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752382
1-(2-hydroxy-2-methylpropyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 110932610
1-(piperidin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 119931023
1-(furan-3-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 134048432
1-(4-bromobenzoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 27770344
1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 120790556
2-amino-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide
CID 64816964

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide (CID 115599497) is N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide is O=C(NCCNCCc1cccs1)C1CC1.
What is the InChIKey of N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide?
The InChIKey is VFZTXMHLODYSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c15-12(10-3-4-10)14-8-7-13-6-5-11-2-1-9-16-11/h1-2,9-10,13H,3-8H2,(H,14,15).
What are the key properties of N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide?
N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide has a molecular weight of 238.36 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115599497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).