1-cyclopentyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine

C13H25N3O2S — CID 120973749

IUPAC1-cyclopentyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine
SMILESCS(=O)(=O)C1(C/N=C(\N)NC2CCCC2)CCCC1
InChIInChI=1S/C13H25N3O2S/c1-19(17,18)13(8-4-5-9-13)10-15-12(14)16-11-6-2-3-7-11/h11H,2-10H2,1H3,(H3,14,15,16)
InChIKeyZLXLCAZKBKXILB-UHFFFAOYSA-N
MW287.43 g/mol
LogP1.19
Rot. Bonds4

About 1-cyclopentyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine

1-cyclopentyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine (PubChem CID 120973749) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-cyclopentyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine
PubChem CID120973749
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name1-cyclopentyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine
SMILESCS(=O)(=O)C1(C/N=C(\N)NC2CCCC2)CCCC1
InChIInChI=1S/C13H25N3O2S/c1-19(17,18)13(8-4-5-9-13)10-15-12(14)16-11-6-2-3-7-11/h11H,2-10H2,1H3,(H3,14,15,16)
InChIKeyZLXLCAZKBKXILB-UHFFFAOYSA-N
XLogP1.19
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.19
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'}

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Related Compounds

1-cyclobutyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine
CID 122096093
1-cyclopentyl-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine
CID 119151899
1-cyclohexyl-2-[[1-(hydroxymethyl)cyclohexyl]methyl]guanidine
CID 112697611
1-[[[amino-(cyclopentylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 119147730
1-cyclopropyl-2-[(1-ethylcyclopentyl)methyl]guanidine
CID 103763188
2-[1-[[[amino-(cycloheptylamino)methylidene]amino]methyl]cyclopropyl]acetamide
CID 122101737
1-cyclohexyl-2-[2-(methanesulfonamido)ethyl]guanidine
CID 62364518
2-[(1-methylsulfonylcyclopentyl)methyl]-1-phenylguanidine;hydroiodide
CID 120973744
1-cyclohexyl-3-ethyl-2-[(4-methylsulfonyloxan-4-yl)methyl]guanidine;hydroiodide
CID 111790271
1-cyclohexyl-2-[(3-methyloxetan-3-yl)methyl]guanidine
CID 111810434
1-cyclopentyl-2-[[1-(trifluoromethyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 120973282
2-[(1-cyanocyclobutyl)methyl]-1-cycloheptylguanidine
CID 122099517

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine (CID 120973749) is 1-cyclopentyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine is CS(=O)(=O)C1(C/N=C(\N)NC2CCCC2)CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine?
The InChIKey is ZLXLCAZKBKXILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-19(17,18)13(8-4-5-9-13)10-15-12(14)16-11-6-2-3-7-11/h11H,2-10H2,1H3,(H3,14,15,16).
What are the key properties of 1-cyclopentyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine?
1-cyclopentyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine has a molecular weight of 287.43 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine is sourced from PubChem (CID 120973749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).