2-(2-tert-butylsulfonylethyl)-1-cyclohexyl-3-ethylguanidine;hydroiodide

C15H32IN3O2S — CID 111573490

IUPAC2-(2-tert-butylsulfonylethyl)-1-cyclohexyl-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CCS(=O)(=O)C(C)(C)C)NC1CCCCC1.I
InChIInChI=1S/C15H31N3O2S.HI/c1-5-16-14(18-13-9-7-6-8-10-13)17-11-12-21(19,20)15(2,3)4;/h13H,5-12H2,1-4H3,(H2,16,17,18);1H
InChIKeyOUUWIKPIARRNIG-UHFFFAOYSA-N
MW445.41 g/mol
LogP2.71
Rot. Bonds5

About 2-(2-tert-butylsulfonylethyl)-1-cyclohexyl-3-ethylguanidine;hydroiodide

2-(2-tert-butylsulfonylethyl)-1-cyclohexyl-3-ethylguanidine;hydroiodide (PubChem CID 111573490) has the molecular formula C15H32IN3O2S and a molecular weight of 445.41 g/mol. Its IUPAC name is 2-(2-tert-butylsulfonylethyl)-1-cyclohexyl-3-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-tert-butylsulfonylethyl)-1-cyclohexyl-3-ethylguanidine;hydroiodide
PubChem CID111573490
Molecular FormulaC15H32IN3O2S
Molecular Weight445.41 g/mol
Exact Mass445.13
IUPAC Name2-(2-tert-butylsulfonylethyl)-1-cyclohexyl-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CCS(=O)(=O)C(C)(C)C)NC1CCCCC1.I
InChIInChI=1S/C15H31N3O2S.HI/c1-5-16-14(18-13-9-7-6-8-10-13)17-11-12-21(19,20)15(2,3)4;/h13H,5-12H2,1-4H3,(H2,16,17,18);1H
InChIKeyOUUWIKPIARRNIG-UHFFFAOYSA-N
XLogP2.71
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.41
LogP ≤ 52.71
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(2-tert-butylsulfonylethyl)-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111829637
ethyl 4-[[N'-(2-tert-butylsulfonylethyl)-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111830625
1-cyclopentyl-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine
CID 111759533
1-cyclohexyl-2-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide
CID 111604591
1-cyclohexyl-3-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]guanidine;hydroiodide
CID 111578248
1-(2-tert-butylsulfonylethyl)-3-cyclohexyl-2-methylguanidine
CID 111573769
1-cyclohexyl-2-(2,2-dimethyl-4-methylsulfonylbutyl)-3-ethylguanidine
CID 111634716
1-cyclopentyl-2-(3-cyclopropylpropyl)-3-ethylguanidine;hydroiodide
CID 111790884
2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 110958738
N-[2-[[N'-(2-tert-butylsulfonylethyl)-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111573671
tert-butyl N-[3-[[(cyclohexylamino)-(ethylamino)methylidene]amino]propyl]carbamate;hydroiodide
CID 110959324
1-ethyl-2-(2-ethylsulfonylethyl)-3-(4-hydroxycyclohexyl)guanidine
CID 111190416

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylsulfonylethyl)-1-cyclohexyl-3-ethylguanidine;hydroiodide?
The IUPAC name of 2-(2-tert-butylsulfonylethyl)-1-cyclohexyl-3-ethylguanidine;hydroiodide (CID 111573490) is 2-(2-tert-butylsulfonylethyl)-1-cyclohexyl-3-ethylguanidine;hydroiodide.
What is the SMILES notation for 2-(2-tert-butylsulfonylethyl)-1-cyclohexyl-3-ethylguanidine;hydroiodide?
The canonical SMILES for 2-(2-tert-butylsulfonylethyl)-1-cyclohexyl-3-ethylguanidine;hydroiodide is CCN/C(=N\CCS(=O)(=O)C(C)(C)C)NC1CCCCC1.I.
What is the InChIKey of 2-(2-tert-butylsulfonylethyl)-1-cyclohexyl-3-ethylguanidine;hydroiodide?
The InChIKey is OUUWIKPIARRNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S.HI/c1-5-16-14(18-13-9-7-6-8-10-13)17-11-12-21(19,20)15(2,3)4;/h13H,5-12H2,1-4H3,(H2,16,17,18);1H.
What are the key properties of 2-(2-tert-butylsulfonylethyl)-1-cyclohexyl-3-ethylguanidine;hydroiodide?
2-(2-tert-butylsulfonylethyl)-1-cyclohexyl-3-ethylguanidine;hydroiodide has a molecular weight of 445.41 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylsulfonylethyl)-1-cyclohexyl-3-ethylguanidine;hydroiodide is sourced from PubChem (CID 111573490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).