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

C10H19N3OS — CID 120672041

IUPAC1-cyclopropyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine
SMILESCS(=O)C1(C/N=C(\N)NC2CC2)CCC1
InChIInChI=1S/C10H19N3OS/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)
InChIKeyLWLBBRKIJJTSNJ-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.35
Rot. Bonds4

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

1-cyclopropyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine (PubChem CID 120672041) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine
PubChem CID120672041
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name1-cyclopropyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine
SMILESCS(=O)C1(C/N=C(\N)NC2CC2)CCC1
InChIInChI=1S/C10H19N3OS/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)
InChIKeyLWLBBRKIJJTSNJ-UHFFFAOYSA-N
XLogP0.35
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.35
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine (CID 120672041) is 1-cyclopropyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine is CS(=O)C1(C/N=C(\N)NC2CC2)CCC1.
What is the InChIKey of 1-cyclopropyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine?
The InChIKey is LWLBBRKIJJTSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/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).
What are the key properties of 1-cyclopropyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine?
1-cyclopropyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine has a molecular weight of 229.35 g/mol, XLogP of 0.35, 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 is sourced from PubChem (CID 120672041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).