2-cyclopropyl-1-(1,1-dioxothiolan-3-yl)guanidine

C8H15N3O2S — CID 62361730

IUPAC2-cyclopropyl-1-(1,1-dioxothiolan-3-yl)guanidine
SMILESN/C(=N\C1CC1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C8H15N3O2S/c9-8(10-6-1-2-6)11-7-3-4-14(12,13)5-7/h6-7H,1-5H2,(H3,9,10,11)
InChIKeyFAIDWCPGSWCXPC-UHFFFAOYSA-N
MW217.29 g/mol
LogP-0.76
Rot. Bonds2

About 2-cyclopropyl-1-(1,1-dioxothiolan-3-yl)guanidine

2-cyclopropyl-1-(1,1-dioxothiolan-3-yl)guanidine (PubChem CID 62361730) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-cyclopropyl-1-(1,1-dioxothiolan-3-yl)guanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-(1,1-dioxothiolan-3-yl)guanidine
PubChem CID62361730
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name2-cyclopropyl-1-(1,1-dioxothiolan-3-yl)guanidine
SMILESN/C(=N\C1CC1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C8H15N3O2S/c9-8(10-6-1-2-6)11-7-3-4-14(12,13)5-7/h6-7H,1-5H2,(H3,9,10,11)
InChIKeyFAIDWCPGSWCXPC-UHFFFAOYSA-N
XLogP-0.76
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 5-0.76
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'}

Analyze 2-cyclopropyl-1-(1,1-dioxothiolan-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-(1,1-dioxothiolan-3-yl)guanidine?
The IUPAC name of 2-cyclopropyl-1-(1,1-dioxothiolan-3-yl)guanidine (CID 62361730) is 2-cyclopropyl-1-(1,1-dioxothiolan-3-yl)guanidine.
What is the SMILES notation for 2-cyclopropyl-1-(1,1-dioxothiolan-3-yl)guanidine?
The canonical SMILES for 2-cyclopropyl-1-(1,1-dioxothiolan-3-yl)guanidine is N/C(=N\C1CC1)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-cyclopropyl-1-(1,1-dioxothiolan-3-yl)guanidine?
The InChIKey is FAIDWCPGSWCXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c9-8(10-6-1-2-6)11-7-3-4-14(12,13)5-7/h6-7H,1-5H2,(H3,9,10,11).
What are the key properties of 2-cyclopropyl-1-(1,1-dioxothiolan-3-yl)guanidine?
2-cyclopropyl-1-(1,1-dioxothiolan-3-yl)guanidine has a molecular weight of 217.29 g/mol, XLogP of -0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(1,1-dioxothiolan-3-yl)guanidine is sourced from PubChem (CID 62361730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).