2-[ethyl(dimethyl)-λ4-sulfanyl]-1-methyl-1-pentan-3-ylguanidine

C11H27N3S — CID 123401090

IUPAC2-[ethyl(dimethyl)-λ4-sulfanyl]-1-methyl-1-pentan-3-ylguanidine
SMILESCCC(CC)N(C)C(N)=NS(C)(C)CC
InChIInChI=1S/C11H27N3S/c1-7-10(8-2)14(4)11(12)13-15(5,6)9-3/h10H,7-9H2,1-6H3,(H2,12,13)
InChIKeyCXQMVIIUQBDGHA-UHFFFAOYSA-N
MW233.42 g/mol
LogP2.42
Rot. Bonds5

About 2-[ethyl(dimethyl)-λ4-sulfanyl]-1-methyl-1-pentan-3-ylguanidine

2-[ethyl(dimethyl)-λ4-sulfanyl]-1-methyl-1-pentan-3-ylguanidine (PubChem CID 123401090) has the molecular formula C11H27N3S and a molecular weight of 233.42 g/mol. Its IUPAC name is 2-[ethyl(dimethyl)-λ4-sulfanyl]-1-methyl-1-pentan-3-ylguanidine.

Molecular Properties

Compound Name2-[ethyl(dimethyl)-λ4-sulfanyl]-1-methyl-1-pentan-3-ylguanidine
PubChem CID123401090
Molecular FormulaC11H27N3S
Molecular Weight233.42 g/mol
Exact Mass233.19
IUPAC Name2-[ethyl(dimethyl)-λ4-sulfanyl]-1-methyl-1-pentan-3-ylguanidine
SMILESCCC(CC)N(C)C(N)=NS(C)(C)CC
InChIInChI=1S/C11H27N3S/c1-7-10(8-2)14(4)11(12)13-15(5,6)9-3/h10H,7-9H2,1-6H3,(H2,12,13)
InChIKeyCXQMVIIUQBDGHA-UHFFFAOYSA-N
XLogP2.42
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[ethyl(dimethyl)-λ4-sulfanyl]-1-methyl-1-pentan-3-ylguanidine 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-[ethyl(dimethyl)-λ4-sulfanyl]-1-methyl-1-pentan-3-ylguanidine?
The IUPAC name of 2-[ethyl(dimethyl)-λ4-sulfanyl]-1-methyl-1-pentan-3-ylguanidine (CID 123401090) is 2-[ethyl(dimethyl)-λ4-sulfanyl]-1-methyl-1-pentan-3-ylguanidine.
What is the SMILES notation for 2-[ethyl(dimethyl)-λ4-sulfanyl]-1-methyl-1-pentan-3-ylguanidine?
The canonical SMILES for 2-[ethyl(dimethyl)-λ4-sulfanyl]-1-methyl-1-pentan-3-ylguanidine is CCC(CC)N(C)C(N)=NS(C)(C)CC.
What is the InChIKey of 2-[ethyl(dimethyl)-λ4-sulfanyl]-1-methyl-1-pentan-3-ylguanidine?
The InChIKey is CXQMVIIUQBDGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3S/c1-7-10(8-2)14(4)11(12)13-15(5,6)9-3/h10H,7-9H2,1-6H3,(H2,12,13).
What are the key properties of 2-[ethyl(dimethyl)-λ4-sulfanyl]-1-methyl-1-pentan-3-ylguanidine?
2-[ethyl(dimethyl)-λ4-sulfanyl]-1-methyl-1-pentan-3-ylguanidine has a molecular weight of 233.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(dimethyl)-λ4-sulfanyl]-1-methyl-1-pentan-3-ylguanidine is sourced from PubChem (CID 123401090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).