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

C10H20IN3O2S — CID 120662799

IUPAC1-cyclopropyl-2-[(1-methylsulfonylcyclobutyl)methyl]guanidine;hydroiodide
SMILESCS(=O)(=O)C1(C/N=C(\N)NC2CC2)CCC1.I
InChIInChI=1S/C10H19N3O2S.HI/c1-16(14,15)10(5-2-6-10)7-12-9(11)13-8-3-4-8;/h8H,2-7H2,1H3,(H3,11,12,13);1H
InChIKeyPAKLURXHHYMDIH-UHFFFAOYSA-N
MW373.26 g/mol
LogP0.64
Rot. Bonds4

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

1-cyclopropyl-2-[(1-methylsulfonylcyclobutyl)methyl]guanidine;hydroiodide (PubChem CID 120662799) has the molecular formula C10H20IN3O2S and a molecular weight of 373.26 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(1-methylsulfonylcyclobutyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[(1-methylsulfonylcyclobutyl)methyl]guanidine;hydroiodide
PubChem CID120662799
Molecular FormulaC10H20IN3O2S
Molecular Weight373.26 g/mol
Exact Mass373.03
IUPAC Name1-cyclopropyl-2-[(1-methylsulfonylcyclobutyl)methyl]guanidine;hydroiodide
SMILESCS(=O)(=O)C1(C/N=C(\N)NC2CC2)CCC1.I
InChIInChI=1S/C10H19N3O2S.HI/c1-16(14,15)10(5-2-6-10)7-12-9(11)13-8-3-4-8;/h8H,2-7H2,1H3,(H3,11,12,13);1H
InChIKeyPAKLURXHHYMDIH-UHFFFAOYSA-N
XLogP0.64
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methylsulfonylcyclobutyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[(1-methylsulfonylcyclobutyl)methyl]guanidine;hydroiodide (CID 120662799) is 1-cyclopropyl-2-[(1-methylsulfonylcyclobutyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[(1-methylsulfonylcyclobutyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[(1-methylsulfonylcyclobutyl)methyl]guanidine;hydroiodide is CS(=O)(=O)C1(C/N=C(\N)NC2CC2)CCC1.I.
What is the InChIKey of 1-cyclopropyl-2-[(1-methylsulfonylcyclobutyl)methyl]guanidine;hydroiodide?
The InChIKey is PAKLURXHHYMDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S.HI/c1-16(14,15)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-methylsulfonylcyclobutyl)methyl]guanidine;hydroiodide?
1-cyclopropyl-2-[(1-methylsulfonylcyclobutyl)methyl]guanidine;hydroiodide has a molecular weight of 373.26 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(1-methylsulfonylcyclobutyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 120662799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).