1-cyclopentyl-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine

C12H23N3O2S — CID 119151899

IUPAC1-cyclopentyl-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine
SMILESCS(=O)(=O)CC1(C/N=C(\N)NC2CCCC2)CC1
InChIInChI=1S/C12H23N3O2S/c1-18(16,17)9-12(6-7-12)8-14-11(13)15-10-4-2-3-5-10/h10H,2-9H2,1H3,(H3,13,14,15)
InChIKeyKOEOQZSTDQJKHP-UHFFFAOYSA-N
MW273.40 g/mol
LogP0.66
Rot. Bonds5

About 1-cyclopentyl-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine

1-cyclopentyl-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine (PubChem CID 119151899) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-cyclopentyl-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine
PubChem CID119151899
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name1-cyclopentyl-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine
SMILESCS(=O)(=O)CC1(C/N=C(\N)NC2CCCC2)CC1
InChIInChI=1S/C12H23N3O2S/c1-18(16,17)9-12(6-7-12)8-14-11(13)15-10-4-2-3-5-10/h10H,2-9H2,1H3,(H3,13,14,15)
InChIKeyKOEOQZSTDQJKHP-UHFFFAOYSA-N
XLogP0.66
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 50.66
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'}

Analyze 1-cyclopentyl-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]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

ethyl 4-[[N'-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111722177
1-cyclopentyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine
CID 120973749
1-(cyclobutylmethyl)-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 111722110
2-[1-[[[amino-(cycloheptylamino)methylidene]amino]methyl]cyclopropyl]acetamide
CID 122101737
1-cyclobutyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine
CID 122096093
1-cyclohexyl-2-[[1-(hydroxymethyl)cyclohexyl]methyl]guanidine
CID 112697611
1-tert-butyl-2-[[1-(methylsulfonylmethyl)cyclobutyl]methyl]guanidine
CID 122099394
1-cyclopropyl-2-[(1-ethylcyclopentyl)methyl]guanidine
CID 103763188
1-cyclohexyl-2-[2-(methanesulfonamido)ethyl]guanidine
CID 62364518
1-[[[amino-(cyclopentylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 119147730
1-cyclohexyl-2-[(3-methyloxetan-3-yl)methyl]guanidine
CID 111810434
1,1-diethyl-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 111722138

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine (CID 119151899) is 1-cyclopentyl-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine is CS(=O)(=O)CC1(C/N=C(\N)NC2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine?
The InChIKey is KOEOQZSTDQJKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-18(16,17)9-12(6-7-12)8-14-11(13)15-10-4-2-3-5-10/h10H,2-9H2,1H3,(H3,13,14,15).
What are the key properties of 1-cyclopentyl-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine?
1-cyclopentyl-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine has a molecular weight of 273.40 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine is sourced from PubChem (CID 119151899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).