1-ethyl-2-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine

C11H23N3OS — CID 111830833

IUPAC1-ethyl-2-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine
SMILESCCN/C(=N\CC1(C)COC1)NCCSC
InChIInChI=1S/C11H23N3OS/c1-4-12-10(13-5-6-16-3)14-7-11(2)8-15-9-11/h4-9H2,1-3H3,(H2,12,13,14)
InChIKeyIUHIIWSPVTXULM-UHFFFAOYSA-N
MW245.39 g/mol
LogP0.94
Rot. Bonds6

About 1-ethyl-2-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine

1-ethyl-2-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine (PubChem CID 111830833) has the molecular formula C11H23N3OS and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-ethyl-2-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine
PubChem CID111830833
Molecular FormulaC11H23N3OS
Molecular Weight245.39 g/mol
Exact Mass245.16
IUPAC Name1-ethyl-2-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine
SMILESCCN/C(=N\CC1(C)COC1)NCCSC
InChIInChI=1S/C11H23N3OS/c1-4-12-10(13-5-6-16-3)14-7-11(2)8-15-9-11/h4-9H2,1-3H3,(H2,12,13,14)
InChIKeyIUHIIWSPVTXULM-UHFFFAOYSA-N
XLogP0.94
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-ethyl-2-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine with MolForge

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

Launch Full Analysis

Related Compounds

1-ethyl-2-[(3-methyloxetan-3-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473208
2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111830858
1-ethyl-2-[(3-methyloxetan-3-yl)methyl]-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111826890
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-ethyl-2-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide
CID 111831618
2-(cyclopropylmethyl)-1-ethyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111344940
1-ethyl-2-(4-methylsulfanylbutyl)-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111627099
1-ethyl-2-(2-methoxyethyl)-3-(2-methylsulfanylethyl)guanidine
CID 110941554
1-ethyl-3-(2-methylsulfanylethyl)-2-[(1-phenylcyclobutyl)methyl]guanidine
CID 111344761
1-ethyl-2-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111344972
1-ethyl-2-(3-methylbutyl)-3-(2-methylsulfanylethyl)guanidine
CID 110978587
1-ethyl-2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111497716
1-ethyl-2-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111343948

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine?
The IUPAC name of 1-ethyl-2-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine (CID 111830833) is 1-ethyl-2-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine is CCN/C(=N\CC1(C)COC1)NCCSC.
What is the InChIKey of 1-ethyl-2-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine?
The InChIKey is IUHIIWSPVTXULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3OS/c1-4-12-10(13-5-6-16-3)14-7-11(2)8-15-9-11/h4-9H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-ethyl-2-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine?
1-ethyl-2-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine has a molecular weight of 245.39 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine is sourced from PubChem (CID 111830833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).