1-ethyl-3-[2-(methanesulfonamido)ethyl]-2-(7-methyloctyl)guanidine;hydroiodide

C15H35IN4O2S — CID 111204921

IUPAC1-ethyl-3-[2-(methanesulfonamido)ethyl]-2-(7-methyloctyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCCCCCC(C)C)NCCNS(C)(=O)=O.I
InChIInChI=1S/C15H34N4O2S.HI/c1-5-16-15(18-12-13-19-22(4,20)21)17-11-9-7-6-8-10-14(2)3;/h14,19H,5-13H2,1-4H3,(H2,16,17,18);1H
InChIKeyNLDSNXUNXGARIN-UHFFFAOYSA-N
MW462.44 g/mol
LogP2.32
Rot. Bonds12

About 1-ethyl-3-[2-(methanesulfonamido)ethyl]-2-(7-methyloctyl)guanidine;hydroiodide

1-ethyl-3-[2-(methanesulfonamido)ethyl]-2-(7-methyloctyl)guanidine;hydroiodide (PubChem CID 111204921) has the molecular formula C15H35IN4O2S and a molecular weight of 462.44 g/mol. Its IUPAC name is 1-ethyl-3-[2-(methanesulfonamido)ethyl]-2-(7-methyloctyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-[2-(methanesulfonamido)ethyl]-2-(7-methyloctyl)guanidine;hydroiodide
PubChem CID111204921
Molecular FormulaC15H35IN4O2S
Molecular Weight462.44 g/mol
Exact Mass462.15
IUPAC Name1-ethyl-3-[2-(methanesulfonamido)ethyl]-2-(7-methyloctyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCCCCCC(C)C)NCCNS(C)(=O)=O.I
InChIInChI=1S/C15H34N4O2S.HI/c1-5-16-15(18-12-13-19-22(4,20)21)17-11-9-7-6-8-10-14(2)3;/h14,19H,5-13H2,1-4H3,(H2,16,17,18);1H
InChIKeyNLDSNXUNXGARIN-UHFFFAOYSA-N
XLogP2.32
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.44
LogP ≤ 52.32
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-ethyl-3-[2-(methanesulfonamido)ethyl]-2-(3-methylbutyl)guanidine;hydroiodide
CID 110979354
1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-(4-methylpentyl)guanidine;hydroiodide
CID 111943528
1-ethyl-2-[3-(methanesulfonamido)propyl]-3-nonylguanidine;hydroiodide
CID 111385956
1-ethyl-3-(3-methylbutyl)-2-(3-methylsulfonylpropyl)guanidine;hydroiodide
CID 110978688
1-ethyl-3-[3-(methanesulfonamido)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111179938
1-ethyl-2-[2-(2-hydroxyethyl)-4-methylpentyl]-3-[2-(methanesulfonamido)ethyl]guanidine;hydroiodide
CID 111715203
1-(2-ethoxyethyl)-3-ethyl-2-(5-methylhexyl)guanidine;hydroiodide
CID 111580367
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine;hydroiodide
CID 111248898
1-(3-ethoxy-4-methylpentyl)-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine
CID 111717090
1-[3-(methanesulfonamido)propyl]-2-methyl-3-(7-methyloctyl)guanidine;hydroiodide
CID 111204891
1-ethyl-2-[3-(methanesulfonamido)propyl]-3-(2-methylsulfanylethyl)guanidine
CID 111343741
1-ethyl-3-[3-(methanesulfonamido)propyl]-2-(3-methoxypropyl)guanidine;hydroiodide
CID 110974594

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(methanesulfonamido)ethyl]-2-(7-methyloctyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-[2-(methanesulfonamido)ethyl]-2-(7-methyloctyl)guanidine;hydroiodide (CID 111204921) is 1-ethyl-3-[2-(methanesulfonamido)ethyl]-2-(7-methyloctyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-[2-(methanesulfonamido)ethyl]-2-(7-methyloctyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-[2-(methanesulfonamido)ethyl]-2-(7-methyloctyl)guanidine;hydroiodide is CCN/C(=N\CCCCCCC(C)C)NCCNS(C)(=O)=O.I.
What is the InChIKey of 1-ethyl-3-[2-(methanesulfonamido)ethyl]-2-(7-methyloctyl)guanidine;hydroiodide?
The InChIKey is NLDSNXUNXGARIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N4O2S.HI/c1-5-16-15(18-12-13-19-22(4,20)21)17-11-9-7-6-8-10-14(2)3;/h14,19H,5-13H2,1-4H3,(H2,16,17,18);1H.
What are the key properties of 1-ethyl-3-[2-(methanesulfonamido)ethyl]-2-(7-methyloctyl)guanidine;hydroiodide?
1-ethyl-3-[2-(methanesulfonamido)ethyl]-2-(7-methyloctyl)guanidine;hydroiodide has a molecular weight of 462.44 g/mol, XLogP of 2.32, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(methanesulfonamido)ethyl]-2-(7-methyloctyl)guanidine;hydroiodide is sourced from PubChem (CID 111204921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).