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

C10H19N3O2S — CID 120662800

IUPAC1-cyclopropyl-2-[(1-methylsulfonylcyclobutyl)methyl]guanidine
SMILESCS(=O)(=O)C1(C/N=C(\N)NC2CC2)CCC1
InChIInChI=1S/C10H19N3O2S/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)
InChIKeyAVPWLZSCEMGYOX-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.02
Rot. Bonds4

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

1-cyclopropyl-2-[(1-methylsulfonylcyclobutyl)methyl]guanidine (PubChem CID 120662800) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(1-methylsulfonylcyclobutyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[(1-methylsulfonylcyclobutyl)methyl]guanidine
PubChem CID120662800
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name1-cyclopropyl-2-[(1-methylsulfonylcyclobutyl)methyl]guanidine
SMILESCS(=O)(=O)C1(C/N=C(\N)NC2CC2)CCC1
InChIInChI=1S/C10H19N3O2S/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)
InChIKeyAVPWLZSCEMGYOX-UHFFFAOYSA-N
XLogP0.02
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.02
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(1-methylsulfonylcyclobutyl)methyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[(1-methylsulfonylcyclobutyl)methyl]guanidine (CID 120662800) is 1-cyclopropyl-2-[(1-methylsulfonylcyclobutyl)methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[(1-methylsulfonylcyclobutyl)methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[(1-methylsulfonylcyclobutyl)methyl]guanidine is CS(=O)(=O)C1(C/N=C(\N)NC2CC2)CCC1.
What is the InChIKey of 1-cyclopropyl-2-[(1-methylsulfonylcyclobutyl)methyl]guanidine?
The InChIKey is AVPWLZSCEMGYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/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).
What are the key properties of 1-cyclopropyl-2-[(1-methylsulfonylcyclobutyl)methyl]guanidine?
1-cyclopropyl-2-[(1-methylsulfonylcyclobutyl)methyl]guanidine has a molecular weight of 245.35 g/mol, XLogP of 0.02, 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 is sourced from PubChem (CID 120662800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).