2-(6-thiaspiro[2.5]octan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)guanidine

C15H23N3S2 — CID 122101594

IUPAC2-(6-thiaspiro[2.5]octan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)guanidine
SMILESN/C(=N\CC1CC12CCSCC2)NCCc1cccs1
InChIInChI=1S/C15H23N3S2/c16-14(17-6-3-13-2-1-7-20-13)18-11-12-10-15(12)4-8-19-9-5-15/h1-2,7,12H,3-6,8-11H2,(H3,16,17,18)
InChIKeyQMUHXRWCDBOMIJ-UHFFFAOYSA-N
MW309.50 g/mol
LogP2.73
Rot. Bonds5

About 2-(6-thiaspiro[2.5]octan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)guanidine

2-(6-thiaspiro[2.5]octan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)guanidine (PubChem CID 122101594) has the molecular formula C15H23N3S2 and a molecular weight of 309.50 g/mol. Its IUPAC name is 2-(6-thiaspiro[2.5]octan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-(6-thiaspiro[2.5]octan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)guanidine
PubChem CID122101594
Molecular FormulaC15H23N3S2
Molecular Weight309.50 g/mol
Exact Mass309.13
IUPAC Name2-(6-thiaspiro[2.5]octan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)guanidine
SMILESN/C(=N\CC1CC12CCSCC2)NCCc1cccs1
InChIInChI=1S/C15H23N3S2/c16-14(17-6-3-13-2-1-7-20-13)18-11-12-10-15(12)4-8-19-9-5-15/h1-2,7,12H,3-6,8-11H2,(H3,16,17,18)
InChIKeyQMUHXRWCDBOMIJ-UHFFFAOYSA-N
XLogP2.73
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 52.73
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-(thiolan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)guanidine
CID 119161102
2-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 122098466
2-(oxan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)guanidine
CID 119119725
2-(oxan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 119120012
2-(oxan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 119119724
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-(2-thiophen-2-ylethyl)guanidine
CID 119146863
2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111752633
2-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 122081892
2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111023170
1-(2-thiophen-2-ylethyl)-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide
CID 111084350
2-pentyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111022609
2-[3-[cyclohexyl(methyl)amino]propyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111057350

Frequently Asked Questions

What is the IUPAC name of 2-(6-thiaspiro[2.5]octan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 2-(6-thiaspiro[2.5]octan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)guanidine (CID 122101594) is 2-(6-thiaspiro[2.5]octan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 2-(6-thiaspiro[2.5]octan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 2-(6-thiaspiro[2.5]octan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)guanidine is N/C(=N\CC1CC12CCSCC2)NCCc1cccs1.
What is the InChIKey of 2-(6-thiaspiro[2.5]octan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)guanidine?
The InChIKey is QMUHXRWCDBOMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S2/c16-14(17-6-3-13-2-1-7-20-13)18-11-12-10-15(12)4-8-19-9-5-15/h1-2,7,12H,3-6,8-11H2,(H3,16,17,18).
What are the key properties of 2-(6-thiaspiro[2.5]octan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)guanidine?
2-(6-thiaspiro[2.5]octan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)guanidine has a molecular weight of 309.50 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-thiaspiro[2.5]octan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 122101594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).