1-(3-morpholin-4-ylpropyl)-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine

C18H31N5OS — CID 111029856

IUPAC1-(3-morpholin-4-ylpropyl)-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine
SMILESN/C(=N\CC(c1cccs1)N1CCCC1)NCCCN1CCOCC1
InChIInChI=1S/C18H31N5OS/c19-18(20-6-4-7-22-10-12-24-13-11-22)21-15-16(17-5-3-14-25-17)23-8-1-2-9-23/h3,5,14,16H,1-2,4,6-13,15H2,(H3,19,20,21)
InChIKeyHUYAQOCZKFQLLC-UHFFFAOYSA-N
MW365.55 g/mol
LogP1.51
Rot. Bonds8

About 1-(3-morpholin-4-ylpropyl)-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine

1-(3-morpholin-4-ylpropyl)-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine (PubChem CID 111029856) has the molecular formula C18H31N5OS and a molecular weight of 365.55 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine
PubChem CID111029856
Molecular FormulaC18H31N5OS
Molecular Weight365.55 g/mol
Exact Mass365.22
IUPAC Name1-(3-morpholin-4-ylpropyl)-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine
SMILESN/C(=N\CC(c1cccs1)N1CCCC1)NCCCN1CCOCC1
InChIInChI=1S/C18H31N5OS/c19-18(20-6-4-7-22-10-12-24-13-11-22)21-15-16(17-5-3-14-25-17)23-8-1-2-9-23/h3,5,14,16H,1-2,4,6-13,15H2,(H3,19,20,21)
InChIKeyHUYAQOCZKFQLLC-UHFFFAOYSA-N
XLogP1.51
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.55
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111027452
2-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111085971
1-ethyl-3-(2-morpholin-4-ylethyl)-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine
CID 111012147
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111060911
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111028270
N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide
CID 111027067
2-(3-ethyl-2-pyrrolidin-1-ylpentyl)-1-(3-morpholin-4-ylpropyl)guanidine
CID 111042205
2-(4-methyl-2-pyrrolidin-1-ylpentyl)-1-(3-morpholin-4-ylpropyl)guanidine
CID 111042263
1-[4-[[N-ethyl-N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide
CID 111011717
2-(3-hydroxy-2-phenylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine
CID 111799936
1-ethyl-3-[4-(4-methylpiperazin-1-yl)butyl]-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111011706
2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111283703

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpropyl)-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine (CID 111029856) is 1-(3-morpholin-4-ylpropyl)-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine is N/C(=N\CC(c1cccs1)N1CCCC1)NCCCN1CCOCC1.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine?
The InChIKey is HUYAQOCZKFQLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5OS/c19-18(20-6-4-7-22-10-12-24-13-11-22)21-15-16(17-5-3-14-25-17)23-8-1-2-9-23/h3,5,14,16H,1-2,4,6-13,15H2,(H3,19,20,21).
What are the key properties of 1-(3-morpholin-4-ylpropyl)-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine?
1-(3-morpholin-4-ylpropyl)-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine has a molecular weight of 365.55 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 111029856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).