1-cyclohexyl-2-[2-(methanesulfonamido)ethyl]guanidine

C10H22N4O2S — CID 62364518

IUPAC1-cyclohexyl-2-[2-(methanesulfonamido)ethyl]guanidine
SMILESCS(=O)(=O)NCC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C10H22N4O2S/c1-17(15,16)13-8-7-12-10(11)14-9-5-3-2-4-6-9/h9,13H,2-8H2,1H3,(H3,11,12,14)
InChIKeyZMHHXDXIGJCDSX-UHFFFAOYSA-N
MW262.38 g/mol
LogP-0.23
Rot. Bonds5

About 1-cyclohexyl-2-[2-(methanesulfonamido)ethyl]guanidine

1-cyclohexyl-2-[2-(methanesulfonamido)ethyl]guanidine (PubChem CID 62364518) has the molecular formula C10H22N4O2S and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-(methanesulfonamido)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-(methanesulfonamido)ethyl]guanidine
PubChem CID62364518
Molecular FormulaC10H22N4O2S
Molecular Weight262.38 g/mol
Exact Mass262.15
IUPAC Name1-cyclohexyl-2-[2-(methanesulfonamido)ethyl]guanidine
SMILESCS(=O)(=O)NCC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C10H22N4O2S/c1-17(15,16)13-8-7-12-10(11)14-9-5-3-2-4-6-9/h9,13H,2-8H2,1H3,(H3,11,12,14)
InChIKeyZMHHXDXIGJCDSX-UHFFFAOYSA-N
XLogP-0.23
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 111043745
N-[2-[[amino-(cyclopentylamino)methylidene]amino]ethyl]acetamide
CID 62364503
1-cyclohexyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine
CID 119120931
1-cyclohexyl-2-[2-(2-methylsulfonylethoxy)ethyl]guanidine;hydroiodide
CID 111671281
1-amino-2-[2-(methanesulfonamido)ethyl]guanidine
CID 64867513
1-cyclopentyl-2-[2-(thiophen-2-ylsulfonylamino)ethyl]guanidine
CID 119954337
1-cyclohexyl-2-ethylguanidine
CID 18727697
1-cyclohexyl-2-(3,3-dimethylbutyl)guanidine
CID 115612324
1-cyclopentyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine;hydroiodide
CID 119120960
1-cyclopentyl-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine
CID 119151899
N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide
CID 111095548
3-[[amino-(cyclopentylamino)methylidene]amino]propanamide
CID 62364509

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[2-(methanesulfonamido)ethyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[2-(methanesulfonamido)ethyl]guanidine (CID 62364518) is 1-cyclohexyl-2-[2-(methanesulfonamido)ethyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[2-(methanesulfonamido)ethyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[2-(methanesulfonamido)ethyl]guanidine is CS(=O)(=O)NCC/N=C(\N)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[2-(methanesulfonamido)ethyl]guanidine?
The InChIKey is ZMHHXDXIGJCDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2S/c1-17(15,16)13-8-7-12-10(11)14-9-5-3-2-4-6-9/h9,13H,2-8H2,1H3,(H3,11,12,14).
What are the key properties of 1-cyclohexyl-2-[2-(methanesulfonamido)ethyl]guanidine?
1-cyclohexyl-2-[2-(methanesulfonamido)ethyl]guanidine has a molecular weight of 262.38 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[2-(methanesulfonamido)ethyl]guanidine is sourced from PubChem (CID 62364518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).