1-cyclopentyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine;hydroiodide

C11H25IN4O2S — CID 119120960

IUPAC1-cyclopentyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine;hydroiodide
SMILESCC(C)NS(=O)(=O)CC/N=C(\N)NC1CCCC1.I
InChIInChI=1S/C11H24N4O2S.HI/c1-9(2)15-18(16,17)8-7-13-11(12)14-10-5-3-4-6-10;/h9-10,15H,3-8H2,1-2H3,(H3,12,13,14);1H
InChIKeyHMEJKOXXVOZMET-UHFFFAOYSA-N
MW404.32 g/mol
LogP0.78
Rot. Bonds6

About 1-cyclopentyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine;hydroiodide

1-cyclopentyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine;hydroiodide (PubChem CID 119120960) has the molecular formula C11H25IN4O2S and a molecular weight of 404.32 g/mol. Its IUPAC name is 1-cyclopentyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine;hydroiodide
PubChem CID119120960
Molecular FormulaC11H25IN4O2S
Molecular Weight404.32 g/mol
Exact Mass404.07
IUPAC Name1-cyclopentyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine;hydroiodide
SMILESCC(C)NS(=O)(=O)CC/N=C(\N)NC1CCCC1.I
InChIInChI=1S/C11H24N4O2S.HI/c1-9(2)15-18(16,17)8-7-13-11(12)14-10-5-3-4-6-10;/h9-10,15H,3-8H2,1-2H3,(H3,12,13,14);1H
InChIKeyHMEJKOXXVOZMET-UHFFFAOYSA-N
XLogP0.78
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.32
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(propan-2-ylsulfamoyl)ethyl]guanidine
CID 119120931
1-cyclopropyl-2-(2-sulfamoylethyl)guanidine
CID 62361534
1-cyclohexyl-2-[2-(2-methylsulfonylethoxy)ethyl]guanidine;hydroiodide
CID 111671281
1-cyclohexyl-2-(3-hydroxybutyl)guanidine
CID 64911703
1-cyclohexyl-2-[2-(methanesulfonamido)ethyl]guanidine
CID 62364518
1-cyclopentyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 119146990
1-cyclohexyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 111804807
1-cyclohexyl-2-(3,3-dimethylbutyl)guanidine
CID 115612324
2-[[amino-(cyclopentylamino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
CID 119117618
1-cyclohexyl-2-(5-methylhexyl)guanidine
CID 79479082
3-[[amino-(cyclopentylamino)methylidene]amino]propanamide
CID 62364509
propan-2-yl 4-[[amino-(cyclohexylamino)methylidene]amino]butanoate;hydroiodide
CID 110062086

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine;hydroiodide (CID 119120960) is 1-cyclopentyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine;hydroiodide is CC(C)NS(=O)(=O)CC/N=C(\N)NC1CCCC1.I.
What is the InChIKey of 1-cyclopentyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine;hydroiodide?
The InChIKey is HMEJKOXXVOZMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2S.HI/c1-9(2)15-18(16,17)8-7-13-11(12)14-10-5-3-4-6-10;/h9-10,15H,3-8H2,1-2H3,(H3,12,13,14);1H.
What are the key properties of 1-cyclopentyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine;hydroiodide?
1-cyclopentyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine;hydroiodide has a molecular weight of 404.32 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 119120960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).