1-cyclopentyl-2-[[2-(methanesulfonamido)cyclopentyl]methyl]guanidine;hydroiodide

C13H27IN4O2S — CID 119161149

IUPAC1-cyclopentyl-2-[[2-(methanesulfonamido)cyclopentyl]methyl]guanidine;hydroiodide
SMILESCS(=O)(=O)NC1CCCC1C/N=C(\N)NC1CCCC1.I
InChIInChI=1S/C13H26N4O2S.HI/c1-20(18,19)17-12-8-4-5-10(12)9-15-13(14)16-11-6-2-3-7-11;/h10-12,17H,2-9H2,1H3,(H3,14,15,16);1H
InChIKeyKDTPFISHGVYSFM-UHFFFAOYSA-N
MW430.36 g/mol
LogP1.17
Rot. Bonds5

About 1-cyclopentyl-2-[[2-(methanesulfonamido)cyclopentyl]methyl]guanidine;hydroiodide

1-cyclopentyl-2-[[2-(methanesulfonamido)cyclopentyl]methyl]guanidine;hydroiodide (PubChem CID 119161149) has the molecular formula C13H27IN4O2S and a molecular weight of 430.36 g/mol. Its IUPAC name is 1-cyclopentyl-2-[[2-(methanesulfonamido)cyclopentyl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-2-[[2-(methanesulfonamido)cyclopentyl]methyl]guanidine;hydroiodide
PubChem CID119161149
Molecular FormulaC13H27IN4O2S
Molecular Weight430.36 g/mol
Exact Mass430.09
IUPAC Name1-cyclopentyl-2-[[2-(methanesulfonamido)cyclopentyl]methyl]guanidine;hydroiodide
SMILESCS(=O)(=O)NC1CCCC1C/N=C(\N)NC1CCCC1.I
InChIInChI=1S/C13H26N4O2S.HI/c1-20(18,19)17-12-8-4-5-10(12)9-15-13(14)16-11-6-2-3-7-11;/h10-12,17H,2-9H2,1H3,(H3,14,15,16);1H
InChIKeyKDTPFISHGVYSFM-UHFFFAOYSA-N
XLogP1.17
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.36
LogP ≤ 51.17
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(methanesulfonamido)cyclohexyl]methyl]-1-phenylguanidine;hydroiodide
CID 120973222
1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110912554
N'-[[2-(methanesulfonamido)cyclohexyl]methyl]azepane-1-carboximidamide
CID 120973217
N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 103697796
1-cyclohexyl-2-[2-(methanesulfonamido)ethyl]guanidine
CID 62364518
1-cyclopentyl-2-[(2-propan-2-yloxolan-3-yl)methyl]guanidine;hydroiodide
CID 119146528
1-cyclobutyl-2-(cycloheptylmethyl)guanidine
CID 122097653
1-cyclopentyl-2-[(2-propan-2-yloxolan-3-yl)methyl]guanidine
CID 119146529
1-cyclopropyl-2-[(2-hydroxycyclohexyl)methyl]guanidine
CID 64911289
N'-[[2-(methanesulfonamido)cyclopentyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119161148
1-cyclopentyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine
CID 120973749
1-cyclobutyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine
CID 122096093

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[[2-(methanesulfonamido)cyclopentyl]methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-2-[[2-(methanesulfonamido)cyclopentyl]methyl]guanidine;hydroiodide (CID 119161149) is 1-cyclopentyl-2-[[2-(methanesulfonamido)cyclopentyl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-2-[[2-(methanesulfonamido)cyclopentyl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-2-[[2-(methanesulfonamido)cyclopentyl]methyl]guanidine;hydroiodide is CS(=O)(=O)NC1CCCC1C/N=C(\N)NC1CCCC1.I.
What is the InChIKey of 1-cyclopentyl-2-[[2-(methanesulfonamido)cyclopentyl]methyl]guanidine;hydroiodide?
The InChIKey is KDTPFISHGVYSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2S.HI/c1-20(18,19)17-12-8-4-5-10(12)9-15-13(14)16-11-6-2-3-7-11;/h10-12,17H,2-9H2,1H3,(H3,14,15,16);1H.
What are the key properties of 1-cyclopentyl-2-[[2-(methanesulfonamido)cyclopentyl]methyl]guanidine;hydroiodide?
1-cyclopentyl-2-[[2-(methanesulfonamido)cyclopentyl]methyl]guanidine;hydroiodide has a molecular weight of 430.36 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[[2-(methanesulfonamido)cyclopentyl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 119161149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).