1-cyclopentyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide

C12H25IN4O2S2 — CID 119146990

IUPAC1-cyclopentyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCS(=O)(=O)N1CCSCC1)NC1CCCC1
InChIInChI=1S/C12H24N4O2S2.HI/c13-12(15-11-3-1-2-4-11)14-5-10-20(17,18)16-6-8-19-9-7-16;/h11H,1-10H2,(H3,13,14,15);1H
InChIKeyXSSIBEIEEYAFGY-UHFFFAOYSA-N
MW448.40 g/mol
LogP0.83
Rot. Bonds5

About 1-cyclopentyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide

1-cyclopentyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide (PubChem CID 119146990) has the molecular formula C12H25IN4O2S2 and a molecular weight of 448.40 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide
PubChem CID119146990
Molecular FormulaC12H25IN4O2S2
Molecular Weight448.40 g/mol
Exact Mass448.05
IUPAC Name1-cyclopentyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCS(=O)(=O)N1CCSCC1)NC1CCCC1
InChIInChI=1S/C12H24N4O2S2.HI/c13-12(15-11-3-1-2-4-11)14-5-10-20(17,18)16-6-8-19-9-7-16;/h11H,1-10H2,(H3,13,14,15);1H
InChIKeyXSSIBEIEEYAFGY-UHFFFAOYSA-N
XLogP0.83
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.40
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 111804807
1-cyclohexyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
CID 111804808
ethyl 4-[[N'-(2-thiomorpholin-4-ylsulfonylethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111804766
1-cyclopropyl-1-methyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 110031118
1-cyclopentyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine;hydroiodide
CID 119120960
1-cyclopropyl-2-(2-sulfamoylethyl)guanidine
CID 62361534
1-cyclohexyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine
CID 119120931
1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]guanidine
CID 111083217
1-cyclopentyl-2-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 119117536
1-ethyl-3-propan-2-yl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 111833112
1-cycloheptyl-3-(1-propylsulfonylpiperidin-4-yl)urea
CID 86992837
1-cyclohexyl-2-[2-(2-methylsulfonylethoxy)ethyl]guanidine;hydroiodide
CID 111671281

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide (CID 119146990) is 1-cyclopentyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide is I.N/C(=N\CCS(=O)(=O)N1CCSCC1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide?
The InChIKey is XSSIBEIEEYAFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S2.HI/c13-12(15-11-3-1-2-4-11)14-5-10-20(17,18)16-6-8-19-9-7-16;/h11H,1-10H2,(H3,13,14,15);1H.
What are the key properties of 1-cyclopentyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide?
1-cyclopentyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide has a molecular weight of 448.40 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide is sourced from PubChem (CID 119146990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).