1-(3-ethylsulfinylcyclohexyl)-2-methylguanidine

C10H21N3OS — CID 109439505

IUPAC1-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
SMILESCCS(=O)C1CCCC(N/C(N)=N/C)C1
InChIInChI=1S/C10H21N3OS/c1-3-15(14)9-6-4-5-8(7-9)13-10(11)12-2/h8-9H,3-7H2,1-2H3,(H3,11,12,13)
InChIKeyWLLMKWJOAIRXKC-UHFFFAOYSA-N
MW231.36 g/mol
LogP0.60
Rot. Bonds3

About 1-(3-ethylsulfinylcyclohexyl)-2-methylguanidine

1-(3-ethylsulfinylcyclohexyl)-2-methylguanidine (PubChem CID 109439505) has the molecular formula C10H21N3OS and a molecular weight of 231.36 g/mol. Its IUPAC name is 1-(3-ethylsulfinylcyclohexyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
PubChem CID109439505
Molecular FormulaC10H21N3OS
Molecular Weight231.36 g/mol
Exact Mass231.14
IUPAC Name1-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
SMILESCCS(=O)C1CCCC(N/C(N)=N/C)C1
InChIInChI=1S/C10H21N3OS/c1-3-15(14)9-6-4-5-8(7-9)13-10(11)12-2/h8-9H,3-7H2,1-2H3,(H3,11,12,13)
InChIKeyWLLMKWJOAIRXKC-UHFFFAOYSA-N
XLogP0.60
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-(2-ethylbutyl)-3-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
CID 109440055
1-(cyclooctylmethyl)-3-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
CID 109437753
1-(2,2-difluoroethyl)-3-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
CID 109438875
1-(3-ethylsulfinylcyclohexyl)-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 109439594
1-(3-ethylsulfinylcyclohexyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine
CID 109437749
1-(3-ethylsulfinylcyclohexyl)-3-(2-methoxyethyl)-2-methylguanidine
CID 109439009
1-(3-ethylsulfinylcyclohexyl)-3-(2-ethylsulfonylethyl)-2-methylguanidine;hydroiodide
CID 109436926
1-[(4-ethylcyclohexyl)methyl]-3-(3-ethylsulfinylcyclohexyl)-2-methylguanidine;hydroiodide
CID 109440066
2-ethyl-3-(3-ethylsulfinylcyclohexyl)-1,1-dimethylguanidine;hydroiodide
CID 109437174
1-(3-ethylsulfinylcyclohexyl)-2-methyl-3-(2-methyl-2-methylsulfonylpropyl)guanidine
CID 109437433
2-[[N-(3-ethylsulfinylcyclohexyl)-N'-methylcarbamimidoyl]amino]-N-propylacetamide
CID 109437629
1-(2-ethoxyethyl)-3-(3-ethylsulfinylcyclohexyl)-2-methylguanidine;hydroiodide
CID 109440620

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfinylcyclohexyl)-2-methylguanidine?
The IUPAC name of 1-(3-ethylsulfinylcyclohexyl)-2-methylguanidine (CID 109439505) is 1-(3-ethylsulfinylcyclohexyl)-2-methylguanidine.
What is the SMILES notation for 1-(3-ethylsulfinylcyclohexyl)-2-methylguanidine?
The canonical SMILES for 1-(3-ethylsulfinylcyclohexyl)-2-methylguanidine is CCS(=O)C1CCCC(N/C(N)=N/C)C1.
What is the InChIKey of 1-(3-ethylsulfinylcyclohexyl)-2-methylguanidine?
The InChIKey is WLLMKWJOAIRXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3OS/c1-3-15(14)9-6-4-5-8(7-9)13-10(11)12-2/h8-9H,3-7H2,1-2H3,(H3,11,12,13).
What are the key properties of 1-(3-ethylsulfinylcyclohexyl)-2-methylguanidine?
1-(3-ethylsulfinylcyclohexyl)-2-methylguanidine has a molecular weight of 231.36 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfinylcyclohexyl)-2-methylguanidine is sourced from PubChem (CID 109439505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).