2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine

C14H22N4OS — CID 111023091

IUPAC2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine
SMILESN/C(=N\CCCN1CCCC1=O)NCCc1cccs1
InChIInChI=1S/C14H22N4OS/c15-14(17-8-6-12-4-2-11-20-12)16-7-3-10-18-9-1-5-13(18)19/h2,4,11H,1,3,5-10H2,(H3,15,16,17)
InChIKeyWDUZASAEHJOPGO-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.21
Rot. Bonds7

About 2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine

2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine (PubChem CID 111023091) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine
PubChem CID111023091
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine
SMILESN/C(=N\CCCN1CCCC1=O)NCCc1cccs1
InChIInChI=1S/C14H22N4OS/c15-14(17-8-6-12-4-2-11-20-12)16-7-3-10-18-9-1-5-13(18)19/h2,4,11H,1,3,5-10H2,(H3,15,16,17)
InChIKeyWDUZASAEHJOPGO-UHFFFAOYSA-N
XLogP1.21
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111023101
2-[4-(4-methylpiperazin-1-yl)butyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111060171
N-[3-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752382
2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111023170
2-(2-oxo-2-pyrrolidin-1-ylethyl)-1-(2-thiophen-2-ylethyl)guanidine
CID 111040264
1-ethyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111146787
2-pentyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111022609
2-[4-(4-phenylpiperazin-1-yl)butyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111061937
1-[2-(furan-2-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111146583
2-(3-phenylpropyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111024901
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111078803
2-(3-cyclopentyloxypropyl)-1-(2-thiophen-2-ylethyl)guanidine
CID 111089993

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine (CID 111023091) is 2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine is N/C(=N\CCCN1CCCC1=O)NCCc1cccs1.
What is the InChIKey of 2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine?
The InChIKey is WDUZASAEHJOPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c15-14(17-8-6-12-4-2-11-20-12)16-7-3-10-18-9-1-5-13(18)19/h2,4,11H,1,3,5-10H2,(H3,15,16,17).
What are the key properties of 2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine?
2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine has a molecular weight of 294.42 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 111023091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).