1-cyclopentyl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide

C11H25IN4O2S — CID 110990818

IUPAC1-cyclopentyl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCCNS(C)(=O)=O)NC1CCCC1.I
InChIInChI=1S/C11H24N4O2S.HI/c1-12-11(15-10-6-3-4-7-10)13-8-5-9-14-18(2,16)17;/h10,14H,3-9H2,1-2H3,(H2,12,13,15);1H
InChIKeyOLXYVVADTNFSBR-UHFFFAOYSA-N
MW404.32 g/mol
LogP0.65
Rot. Bonds6

About 1-cyclopentyl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide

1-cyclopentyl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide (PubChem CID 110990818) has the molecular formula C11H25IN4O2S and a molecular weight of 404.32 g/mol. Its IUPAC name is 1-cyclopentyl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide
PubChem CID110990818
Molecular FormulaC11H25IN4O2S
Molecular Weight404.32 g/mol
Exact Mass404.07
IUPAC Name1-cyclopentyl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCCNS(C)(=O)=O)NC1CCCC1.I
InChIInChI=1S/C11H24N4O2S.HI/c1-12-11(15-10-6-3-4-7-10)13-8-5-9-14-18(2,16)17;/h10,14H,3-9H2,1-2H3,(H2,12,13,15);1H
InChIKeyOLXYVVADTNFSBR-UHFFFAOYSA-N
XLogP0.65
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.32
LogP ≤ 50.65
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-2-methyl-3-(3-methylsulfonylpropyl)guanidine
CID 110958583
1-[3-(methanesulfonamido)propyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111018055
1-(3-cyclohexyloxypropyl)-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide
CID 111398312
1-cyclohexyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylguanidine
CID 110959303
1-cyclohexyl-3-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 110958536
1-[2-(methanesulfonamido)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019828
1-[3-(methanesulfonamido)propyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111371547
tert-butyl N-[3-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]propyl]carbamate
CID 110992749
1-cyclohexyl-3-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylguanidine
CID 110958537
1-cyclohexyl-2-methyl-3-[2-(2-methylsulfonylethoxy)ethyl]guanidine;hydroiodide
CID 111493143
1-(4-cyclohexylbutan-2-yl)-3-[3-(methanesulfonamido)propyl]-2-methylguanidine
CID 109482667
1-cyclohexyl-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 110958480

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide (CID 110990818) is 1-cyclopentyl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide is C/N=C(\NCCCNS(C)(=O)=O)NC1CCCC1.I.
What is the InChIKey of 1-cyclopentyl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide?
The InChIKey is OLXYVVADTNFSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2S.HI/c1-12-11(15-10-6-3-4-7-10)13-8-5-9-14-18(2,16)17;/h10,14H,3-9H2,1-2H3,(H2,12,13,15);1H.
What are the key properties of 1-cyclopentyl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide?
1-cyclopentyl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide has a molecular weight of 404.32 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 110990818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).