1-amino-2-(2-methoxyethyl)-3-(thiolan-3-yl)guanidine

C8H18N4OS — CID 103065591

IUPAC1-amino-2-(2-methoxyethyl)-3-(thiolan-3-yl)guanidine
SMILESCOCC/N=C(\NN)NC1CCSC1
InChIInChI=1S/C8H18N4OS/c1-13-4-3-10-8(12-9)11-7-2-5-14-6-7/h7H,2-6,9H2,1H3,(H2,10,11,12)
InChIKeyCXPKDRQNBFXPHW-UHFFFAOYSA-N
MW218.33 g/mol
LogP-0.45
Rot. Bonds4

About 1-amino-2-(2-methoxyethyl)-3-(thiolan-3-yl)guanidine

1-amino-2-(2-methoxyethyl)-3-(thiolan-3-yl)guanidine (PubChem CID 103065591) has the molecular formula C8H18N4OS and a molecular weight of 218.33 g/mol. Its IUPAC name is 1-amino-2-(2-methoxyethyl)-3-(thiolan-3-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-(2-methoxyethyl)-3-(thiolan-3-yl)guanidine
PubChem CID103065591
Molecular FormulaC8H18N4OS
Molecular Weight218.33 g/mol
Exact Mass218.12
IUPAC Name1-amino-2-(2-methoxyethyl)-3-(thiolan-3-yl)guanidine
SMILESCOCC/N=C(\NN)NC1CCSC1
InChIInChI=1S/C8H18N4OS/c1-13-4-3-10-8(12-9)11-7-2-5-14-6-7/h7H,2-6,9H2,1H3,(H2,10,11,12)
InChIKeyCXPKDRQNBFXPHW-UHFFFAOYSA-N
XLogP-0.45
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-amino-2-(2-methoxyethyl)-3-(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 1-amino-2-(2-methoxyethyl)-3-(thiolan-3-yl)guanidine?
The IUPAC name of 1-amino-2-(2-methoxyethyl)-3-(thiolan-3-yl)guanidine (CID 103065591) is 1-amino-2-(2-methoxyethyl)-3-(thiolan-3-yl)guanidine.
What is the SMILES notation for 1-amino-2-(2-methoxyethyl)-3-(thiolan-3-yl)guanidine?
The canonical SMILES for 1-amino-2-(2-methoxyethyl)-3-(thiolan-3-yl)guanidine is COCC/N=C(\NN)NC1CCSC1.
What is the InChIKey of 1-amino-2-(2-methoxyethyl)-3-(thiolan-3-yl)guanidine?
The InChIKey is CXPKDRQNBFXPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4OS/c1-13-4-3-10-8(12-9)11-7-2-5-14-6-7/h7H,2-6,9H2,1H3,(H2,10,11,12).
What are the key properties of 1-amino-2-(2-methoxyethyl)-3-(thiolan-3-yl)guanidine?
1-amino-2-(2-methoxyethyl)-3-(thiolan-3-yl)guanidine has a molecular weight of 218.33 g/mol, XLogP of -0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-methoxyethyl)-3-(thiolan-3-yl)guanidine is sourced from PubChem (CID 103065591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).