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

C11H21N3OS — CID 120672031

IUPAC1-cyclopropyl-1-methyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine
SMILESCN(/C(N)=N/CC1(S(C)=O)CCC1)C1CC1
InChIInChI=1S/C11H21N3OS/c1-14(9-4-5-9)10(12)13-8-11(16(2)15)6-3-7-11/h9H,3-8H2,1-2H3,(H2,12,13)
InChIKeyDVGLSMKAPMLMGB-UHFFFAOYSA-N
MW243.38 g/mol
LogP0.70
Rot. Bonds4

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

1-cyclopropyl-1-methyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine (PubChem CID 120672031) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine
PubChem CID120672031
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name1-cyclopropyl-1-methyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine
SMILESCN(/C(N)=N/CC1(S(C)=O)CCC1)C1CC1
InChIInChI=1S/C11H21N3OS/c1-14(9-4-5-9)10(12)13-8-11(16(2)15)6-3-7-11/h9H,3-8H2,1-2H3,(H2,12,13)
InChIKeyDVGLSMKAPMLMGB-UHFFFAOYSA-N
XLogP0.70
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-Cyclopropyl-2-[(1-methylsulfanylcyclobutyl)methyl]guanidine
CID 107265839
1-Cyclopropyl-1-methyl-2-[(1-methylsulfanylcyclobutyl)methyl]guanidine;hydroiodide
CID 120605870
1-Cyclopropyl-1-methyl-2-[(1-methylsulfanylcyclobutyl)methyl]guanidine
CID 120605871
1-Cyclopropyl-1-methyl-2-[(1-methylsulfonylcyclobutyl)methyl]guanidine;hydroiodide
CID 120662791
1-Cyclopropyl-1-methyl-2-[(1-methylsulfonylcyclobutyl)methyl]guanidine
CID 120662792
1-Cyclopropyl-2-[(1-methylsulfonylcyclobutyl)methyl]guanidine;hydroiodide
CID 120662799
1-Cyclopropyl-2-[(1-methylsulfonylcyclobutyl)methyl]guanidine
CID 120662800
1-Cyclopropyl-1-methyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine;hydroiodide
CID 120672030
1,2-Dimethyl-3-[(1-methylsulfinylcyclobutyl)methyl]guanidine
CID 120672039
1-Cyclopropyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine;hydroiodide
CID 120672040
1-Cyclopropyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine
CID 120672041
1-Cyclohexyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine
CID 120672051

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine?
The IUPAC name of 1-cyclopropyl-1-methyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine (CID 120672031) is 1-cyclopropyl-1-methyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine is CN(/C(N)=N/CC1(S(C)=O)CCC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine?
The InChIKey is DVGLSMKAPMLMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-14(9-4-5-9)10(12)13-8-11(16(2)15)6-3-7-11/h9H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of 1-cyclopropyl-1-methyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine?
1-cyclopropyl-1-methyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine has a molecular weight of 243.38 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine is sourced from PubChem (CID 120672031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).