2-(2-oxo-2-pyrrolidin-1-ylethyl)-1-(2-thiophen-2-ylethyl)guanidine

C13H20N4OS — CID 111040264

IUPAC2-(2-oxo-2-pyrrolidin-1-ylethyl)-1-(2-thiophen-2-ylethyl)guanidine
SMILESN/C(=N\CC(=O)N1CCCC1)NCCc1cccs1
InChIInChI=1S/C13H20N4OS/c14-13(15-6-5-11-4-3-9-19-11)16-10-12(18)17-7-1-2-8-17/h3-4,9H,1-2,5-8,10H2,(H3,14,15,16)
InChIKeyWPPNDMJEPDBNFV-UHFFFAOYSA-N
MW280.40 g/mol
LogP0.82
Rot. Bonds5

About 2-(2-oxo-2-pyrrolidin-1-ylethyl)-1-(2-thiophen-2-ylethyl)guanidine

2-(2-oxo-2-pyrrolidin-1-ylethyl)-1-(2-thiophen-2-ylethyl)guanidine (PubChem CID 111040264) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-(2-oxo-2-pyrrolidin-1-ylethyl)-1-(2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-(2-oxo-2-pyrrolidin-1-ylethyl)-1-(2-thiophen-2-ylethyl)guanidine
PubChem CID111040264
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name2-(2-oxo-2-pyrrolidin-1-ylethyl)-1-(2-thiophen-2-ylethyl)guanidine
SMILESN/C(=N\CC(=O)N1CCCC1)NCCc1cccs1
InChIInChI=1S/C13H20N4OS/c14-13(15-6-5-11-4-3-9-19-11)16-10-12(18)17-7-1-2-8-17/h3-4,9H,1-2,5-8,10H2,(H3,14,15,16)
InChIKeyWPPNDMJEPDBNFV-UHFFFAOYSA-N
XLogP0.82
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090952
N-[3-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752382
2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111023091
2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111073642
4-(2-oxo-2-piperidin-1-ylethyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 86912732
N,N-dimethyl-2-[[pyrrolidin-1-yl-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111492931
2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111089306
2-[4-(4-methylpiperazin-1-yl)butyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111060171
2-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 122098466
2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)butanamide
CID 143155083
N,N-dimethyl-2-[[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 110038196
N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119270431

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-pyrrolidin-1-ylethyl)-1-(2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 2-(2-oxo-2-pyrrolidin-1-ylethyl)-1-(2-thiophen-2-ylethyl)guanidine (CID 111040264) is 2-(2-oxo-2-pyrrolidin-1-ylethyl)-1-(2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 2-(2-oxo-2-pyrrolidin-1-ylethyl)-1-(2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 2-(2-oxo-2-pyrrolidin-1-ylethyl)-1-(2-thiophen-2-ylethyl)guanidine is N/C(=N\CC(=O)N1CCCC1)NCCc1cccs1.
What is the InChIKey of 2-(2-oxo-2-pyrrolidin-1-ylethyl)-1-(2-thiophen-2-ylethyl)guanidine?
The InChIKey is WPPNDMJEPDBNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c14-13(15-6-5-11-4-3-9-19-11)16-10-12(18)17-7-1-2-8-17/h3-4,9H,1-2,5-8,10H2,(H3,14,15,16).
What are the key properties of 2-(2-oxo-2-pyrrolidin-1-ylethyl)-1-(2-thiophen-2-ylethyl)guanidine?
2-(2-oxo-2-pyrrolidin-1-ylethyl)-1-(2-thiophen-2-ylethyl)guanidine has a molecular weight of 280.40 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-pyrrolidin-1-ylethyl)-1-(2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 111040264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).