2-cyclopropyl-1-methyl-1-(thiolan-3-yl)guanidine

C9H17N3S — CID 62361660

IUPAC2-cyclopropyl-1-methyl-1-(thiolan-3-yl)guanidine
SMILESCN(/C(N)=N/C1CC1)C1CCSC1
InChIInChI=1S/C9H17N3S/c1-12(8-4-5-13-6-8)9(10)11-7-2-3-7/h7-8H,2-6H2,1H3,(H2,10,11)
InChIKeyASWYXMWUIGMBIR-UHFFFAOYSA-N
MW199.32 g/mol
LogP0.90
Rot. Bonds2

About 2-cyclopropyl-1-methyl-1-(thiolan-3-yl)guanidine

2-cyclopropyl-1-methyl-1-(thiolan-3-yl)guanidine (PubChem CID 62361660) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 2-cyclopropyl-1-methyl-1-(thiolan-3-yl)guanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-methyl-1-(thiolan-3-yl)guanidine
PubChem CID62361660
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name2-cyclopropyl-1-methyl-1-(thiolan-3-yl)guanidine
SMILESCN(/C(N)=N/C1CC1)C1CCSC1
InChIInChI=1S/C9H17N3S/c1-12(8-4-5-13-6-8)9(10)11-7-2-3-7/h7-8H,2-6H2,1H3,(H2,10,11)
InChIKeyASWYXMWUIGMBIR-UHFFFAOYSA-N
XLogP0.90
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 50.90
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'}

Analyze 2-cyclopropyl-1-methyl-1-(thiolan-3-yl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-methyl-1-(thiolan-3-yl)guanidine?
The IUPAC name of 2-cyclopropyl-1-methyl-1-(thiolan-3-yl)guanidine (CID 62361660) is 2-cyclopropyl-1-methyl-1-(thiolan-3-yl)guanidine.
What is the SMILES notation for 2-cyclopropyl-1-methyl-1-(thiolan-3-yl)guanidine?
The canonical SMILES for 2-cyclopropyl-1-methyl-1-(thiolan-3-yl)guanidine is CN(/C(N)=N/C1CC1)C1CCSC1.
What is the InChIKey of 2-cyclopropyl-1-methyl-1-(thiolan-3-yl)guanidine?
The InChIKey is ASWYXMWUIGMBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-12(8-4-5-13-6-8)9(10)11-7-2-3-7/h7-8H,2-6H2,1H3,(H2,10,11).
What are the key properties of 2-cyclopropyl-1-methyl-1-(thiolan-3-yl)guanidine?
2-cyclopropyl-1-methyl-1-(thiolan-3-yl)guanidine has a molecular weight of 199.32 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-methyl-1-(thiolan-3-yl)guanidine is sourced from PubChem (CID 62361660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).