1-cyclohexyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine

C12H26N4O2S — CID 119120931

IUPAC1-cyclohexyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine
SMILESCC(C)NS(=O)(=O)CC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C12H26N4O2S/c1-10(2)16-19(17,18)9-8-14-12(13)15-11-6-4-3-5-7-11/h10-11,16H,3-9H2,1-2H3,(H3,13,14,15)
InChIKeyVBGIFEFGCCUXQC-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.55
Rot. Bonds6

About 1-cyclohexyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine

1-cyclohexyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine (PubChem CID 119120931) has the molecular formula C12H26N4O2S and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine
PubChem CID119120931
Molecular FormulaC12H26N4O2S
Molecular Weight290.43 g/mol
Exact Mass290.18
IUPAC Name1-cyclohexyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine
SMILESCC(C)NS(=O)(=O)CC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C12H26N4O2S/c1-10(2)16-19(17,18)9-8-14-12(13)15-11-6-4-3-5-7-11/h10-11,16H,3-9H2,1-2H3,(H3,13,14,15)
InChIKeyVBGIFEFGCCUXQC-UHFFFAOYSA-N
XLogP0.55
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.55
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'}

Analyze 1-cyclohexyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine;hydroiodide
CID 119120960
1-cyclopropyl-2-(2-sulfamoylethyl)guanidine
CID 62361534
1-cyclohexyl-2-(3-hydroxybutyl)guanidine
CID 64911703
1-cyclohexyl-2-[2-(methanesulfonamido)ethyl]guanidine
CID 62364518
1-cyclohexyl-2-(3,3-dimethylbutyl)guanidine
CID 115612324
1-cyclohexyl-2-(5-methylhexyl)guanidine
CID 79479082
1-cyclohexyl-2-[2-(2-methylsulfonylethoxy)ethyl]guanidine;hydroiodide
CID 111671281
1-cyclohexyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
CID 111804808
1-cyclohexyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 111804807
1-cyclohexyl-2-ethylguanidine
CID 18727697
1-cyclohexyl-2-(3-hydroxy-4-methoxybutyl)guanidine
CID 106248106
3-[[amino-(cyclopentylamino)methylidene]amino]propanamide
CID 62364509

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine (CID 119120931) is 1-cyclohexyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine is CC(C)NS(=O)(=O)CC/N=C(\N)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine?
The InChIKey is VBGIFEFGCCUXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2S/c1-10(2)16-19(17,18)9-8-14-12(13)15-11-6-4-3-5-7-11/h10-11,16H,3-9H2,1-2H3,(H3,13,14,15).
What are the key properties of 1-cyclohexyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine?
1-cyclohexyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine has a molecular weight of 290.43 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine is sourced from PubChem (CID 119120931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).