1-butyl-2-[3-(ethylsulfonylamino)propyl]guanidine;hydroiodide

C10H25IN4O2S — CID 111093458

IUPAC1-butyl-2-[3-(ethylsulfonylamino)propyl]guanidine;hydroiodide
SMILESCCCCN/C(N)=N/CCCNS(=O)(=O)CC.I
InChIInChI=1S/C10H24N4O2S.HI/c1-3-5-7-12-10(11)13-8-6-9-14-17(15,16)4-2;/h14H,3-9H2,1-2H3,(H3,11,12,13);1H
InChIKeySDNPLXAWNFNFNM-UHFFFAOYSA-N
MW392.31 g/mol
LogP0.64
Rot. Bonds9

About 1-butyl-2-[3-(ethylsulfonylamino)propyl]guanidine;hydroiodide

1-butyl-2-[3-(ethylsulfonylamino)propyl]guanidine;hydroiodide (PubChem CID 111093458) has the molecular formula C10H25IN4O2S and a molecular weight of 392.31 g/mol. Its IUPAC name is 1-butyl-2-[3-(ethylsulfonylamino)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-butyl-2-[3-(ethylsulfonylamino)propyl]guanidine;hydroiodide
PubChem CID111093458
Molecular FormulaC10H25IN4O2S
Molecular Weight392.31 g/mol
Exact Mass392.07
IUPAC Name1-butyl-2-[3-(ethylsulfonylamino)propyl]guanidine;hydroiodide
SMILESCCCCN/C(N)=N/CCCNS(=O)(=O)CC.I
InChIInChI=1S/C10H24N4O2S.HI/c1-3-5-7-12-10(11)13-8-6-9-14-17(15,16)4-2;/h14H,3-9H2,1-2H3,(H3,11,12,13);1H
InChIKeySDNPLXAWNFNFNM-UHFFFAOYSA-N
XLogP0.64
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.31
LogP ≤ 50.64
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

1,2-dibutylguanidine;phosphoric acid
CID 166600390
1,2-dibutylguanidine;nitric acid
CID 161280098
1-hexyl-2-(3-methylsulfonylpropyl)guanidine
CID 111067170
1-(3,5-dimethylphenyl)-2-[3-(ethylsulfonylamino)propyl]guanidine;hydroiodide
CID 111093466
2-butyl-1-(2-tert-butylsulfonylethyl)guanidine;hydroiodide
CID 111573966
tert-butyl N-[3-[[amino(butylamino)methylidene]amino]propyl]carbamate
CID 111044672
2-(3-butoxypropyl)-1-butylguanidine
CID 111025789
2-(3-hydroxypropyl)-1-octylguanidine;hydroiodide
CID 111023661
2-hexyl-1-(2-methylsulfonylethyl)guanidine
CID 111063406
2-[3-(ethylsulfonylamino)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111093452
1-(3,5-dimethylphenyl)-2-[3-(ethylsulfonylamino)propyl]guanidine
CID 111093467
1-butyl-2-(5,5-dimethylhexyl)guanidine
CID 111101409

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[3-(ethylsulfonylamino)propyl]guanidine;hydroiodide?
The IUPAC name of 1-butyl-2-[3-(ethylsulfonylamino)propyl]guanidine;hydroiodide (CID 111093458) is 1-butyl-2-[3-(ethylsulfonylamino)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-butyl-2-[3-(ethylsulfonylamino)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-butyl-2-[3-(ethylsulfonylamino)propyl]guanidine;hydroiodide is CCCCN/C(N)=N/CCCNS(=O)(=O)CC.I.
What is the InChIKey of 1-butyl-2-[3-(ethylsulfonylamino)propyl]guanidine;hydroiodide?
The InChIKey is SDNPLXAWNFNFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O2S.HI/c1-3-5-7-12-10(11)13-8-6-9-14-17(15,16)4-2;/h14H,3-9H2,1-2H3,(H3,11,12,13);1H.
What are the key properties of 1-butyl-2-[3-(ethylsulfonylamino)propyl]guanidine;hydroiodide?
1-butyl-2-[3-(ethylsulfonylamino)propyl]guanidine;hydroiodide has a molecular weight of 392.31 g/mol, XLogP of 0.64, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[3-(ethylsulfonylamino)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111093458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).