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

C11H16N2OS — CID 75525535

IUPACN-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNCc1cccs1)C1CC1
InChIInChI=1S/C11H16N2OS/c14-11(9-3-4-9)13-6-5-12-8-10-2-1-7-15-10/h1-2,7,9,12H,3-6,8H2,(H,13,14)
InChIKeyCFFCBPHNKUSQCL-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.36
Rot. Bonds6

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

N-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide (PubChem CID 75525535) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide
PubChem CID75525535
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNCc1cccs1)C1CC1
InChIInChI=1S/C11H16N2OS/c14-11(9-3-4-9)13-6-5-12-8-10-2-1-7-15-10/h1-2,7,9,12H,3-6,8H2,(H,13,14)
InChIKeyCFFCBPHNKUSQCL-UHFFFAOYSA-N
XLogP1.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.36
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

N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115599497
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
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-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61151130
N-[2-[(5-ethylthiophen-2-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115618862
4-[(thiophen-2-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532069
N-[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115575837
N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 113218812
N-[2-[(2,6-dimethylphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115641192
tert-butyl N-[2-(thiophen-2-ylmethylamino)ethyl]carbamate
CID 71214616
4-(benzenesulfonamidomethyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 6624440

Frequently Asked Questions

What is the IUPAC name of N-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide (CID 75525535) is N-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide is O=C(NCCNCc1cccs1)C1CC1.
What is the InChIKey of N-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide?
The InChIKey is CFFCBPHNKUSQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c14-11(9-3-4-9)13-6-5-12-8-10-2-1-7-15-10/h1-2,7,9,12H,3-6,8H2,(H,13,14).
What are the key properties of N-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide?
N-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide has a molecular weight of 224.33 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 75525535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).