1-cyclopropyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine;hydroiodide

C10H20IN3OS — CID 120672040

IUPAC1-cyclopropyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine;hydroiodide
SMILESCS(=O)C1(C/N=C(\N)NC2CC2)CCC1.I
InChIInChI=1S/C10H19N3OS.HI/c1-15(14)10(5-2-6-10)7-12-9(11)13-8-3-4-8;/h8H,2-7H2,1H3,(H3,11,12,13);1H
InChIKeyOKDOJIZTGFZCFN-UHFFFAOYSA-N
MW357.26 g/mol
LogP0.97
Rot. Bonds4

About 1-cyclopropyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine;hydroiodide

1-cyclopropyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine;hydroiodide (PubChem CID 120672040) has the molecular formula C10H20IN3OS and a molecular weight of 357.26 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine;hydroiodide
PubChem CID120672040
Molecular FormulaC10H20IN3OS
Molecular Weight357.26 g/mol
Exact Mass357.04
IUPAC Name1-cyclopropyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine;hydroiodide
SMILESCS(=O)C1(C/N=C(\N)NC2CC2)CCC1.I
InChIInChI=1S/C10H19N3OS.HI/c1-15(14)10(5-2-6-10)7-12-9(11)13-8-3-4-8;/h8H,2-7H2,1H3,(H3,11,12,13);1H
InChIKeyOKDOJIZTGFZCFN-UHFFFAOYSA-N
XLogP0.97
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-cyclopropyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine;hydroiodide (CID 120672040) is 1-cyclopropyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine;hydroiodide is CS(=O)C1(C/N=C(\N)NC2CC2)CCC1.I.
What is the InChIKey of 1-cyclopropyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine;hydroiodide?
The InChIKey is OKDOJIZTGFZCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS.HI/c1-15(14)10(5-2-6-10)7-12-9(11)13-8-3-4-8;/h8H,2-7H2,1H3,(H3,11,12,13);1H.
What are the key properties of 1-cyclopropyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine;hydroiodide?
1-cyclopropyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine;hydroiodide has a molecular weight of 357.26 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 120672040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).