1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide

C15H31IN4O3S — CID 109469003

IUPAC1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide
SMILESCCC1(CN/C(=N\C)NCCS(=O)(=O)N2CCOCC2)CCC1.I
InChIInChI=1S/C15H30N4O3S.HI/c1-3-15(5-4-6-15)13-18-14(16-2)17-7-12-23(20,21)19-8-10-22-11-9-19;/h3-13H2,1-2H3,(H2,16,17,18);1H
InChIKeyFAMWUBRSKYKLNZ-UHFFFAOYSA-N
MW474.41 g/mol
LogP1.01
Rot. Bonds7

About 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide

1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide (PubChem CID 109469003) has the molecular formula C15H31IN4O3S and a molecular weight of 474.41 g/mol. Its IUPAC name is 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide
PubChem CID109469003
Molecular FormulaC15H31IN4O3S
Molecular Weight474.41 g/mol
Exact Mass474.12
IUPAC Name1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide
SMILESCCC1(CN/C(=N\C)NCCS(=O)(=O)N2CCOCC2)CCC1.I
InChIInChI=1S/C15H30N4O3S.HI/c1-3-15(5-4-6-15)13-18-14(16-2)17-7-12-23(20,21)19-8-10-22-11-9-19;/h3-13H2,1-2H3,(H2,16,17,18);1H
InChIKeyFAMWUBRSKYKLNZ-UHFFFAOYSA-N
XLogP1.01
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.41
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide?
The IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide (CID 109469003) is 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide is CCC1(CN/C(=N\C)NCCS(=O)(=O)N2CCOCC2)CCC1.I.
What is the InChIKey of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide?
The InChIKey is FAMWUBRSKYKLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O3S.HI/c1-3-15(5-4-6-15)13-18-14(16-2)17-7-12-23(20,21)19-8-10-22-11-9-19;/h3-13H2,1-2H3,(H2,16,17,18);1H.
What are the key properties of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide?
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide has a molecular weight of 474.41 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide is sourced from PubChem (CID 109469003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).