1-ethyl-1,2,3-trimethyl-3-(2-methylsulfanylethyl)guanidine

C9H21N3S — CID 166733208

IUPAC1-ethyl-1,2,3-trimethyl-3-(2-methylsulfanylethyl)guanidine
SMILESCCN(C)/C(=N\C)N(C)CCSC
InChIInChI=1S/C9H21N3S/c1-6-11(3)9(10-2)12(4)7-8-13-5/h6-8H2,1-5H3/b10-9+
InChIKeyOFTJRWFSVQZAAD-MDZDMXLPSA-N
MW203.35 g/mol
LogP1.22
Rot. Bonds4

About 1-ethyl-1,2,3-trimethyl-3-(2-methylsulfanylethyl)guanidine

1-ethyl-1,2,3-trimethyl-3-(2-methylsulfanylethyl)guanidine (PubChem CID 166733208) has the molecular formula C9H21N3S and a molecular weight of 203.35 g/mol. Its IUPAC name is 1-ethyl-1,2,3-trimethyl-3-(2-methylsulfanylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-1,2,3-trimethyl-3-(2-methylsulfanylethyl)guanidine
PubChem CID166733208
Molecular FormulaC9H21N3S
Molecular Weight203.35 g/mol
Exact Mass203.15
IUPAC Name1-ethyl-1,2,3-trimethyl-3-(2-methylsulfanylethyl)guanidine
SMILESCCN(C)/C(=N\C)N(C)CCSC
InChIInChI=1S/C9H21N3S/c1-6-11(3)9(10-2)12(4)7-8-13-5/h6-8H2,1-5H3/b10-9+
InChIKeyOFTJRWFSVQZAAD-MDZDMXLPSA-N
XLogP1.22
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,3-Tetramethyl-3-(2-sulfanylethyl)guanidine
CID 20154206
N-(2-ethylsulfanylethyl)-1,3-dimethylimidazolidin-2-imine
CID 89589391
N-[ethyl(dimethyl)-lambda4-sulfanyl]-N,1-dimethyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 123464881
1-[Ethyl(dimethyl)-lambda4-sulfanyl]-1,2,3,3-tetramethylguanidine
CID 123468608
1,1,2,3-Tetraethyl-3-(trimethyl-lambda4-sulfanyl)guanidine
CID 123733842
6-Ethylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine
CID 140975188
1,1,3,3-Tetramethyl-2-(3-methylsulfanylpropyl)guanidine;hydroiodide
CID 111800739
1,1,3,3-Tetramethyl-2-(3-methylsulfanylpropyl)guanidine
CID 111800740
1,1-Diethyl-2-(3-methylsulfanylpropyl)guanidine
CID 111800744
1,1,3,3-Tetramethyl-2-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111814846
1,1,3,3-Tetramethyl-2-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111816527
1,1,3,3-Tetramethyl-2-(4-methylsulfanylbutyl)guanidine
CID 111816528

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,2,3-trimethyl-3-(2-methylsulfanylethyl)guanidine?
The IUPAC name of 1-ethyl-1,2,3-trimethyl-3-(2-methylsulfanylethyl)guanidine (CID 166733208) is 1-ethyl-1,2,3-trimethyl-3-(2-methylsulfanylethyl)guanidine.
What is the SMILES notation for 1-ethyl-1,2,3-trimethyl-3-(2-methylsulfanylethyl)guanidine?
The canonical SMILES for 1-ethyl-1,2,3-trimethyl-3-(2-methylsulfanylethyl)guanidine is CCN(C)/C(=N\C)N(C)CCSC.
What is the InChIKey of 1-ethyl-1,2,3-trimethyl-3-(2-methylsulfanylethyl)guanidine?
The InChIKey is OFTJRWFSVQZAAD-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H21N3S/c1-6-11(3)9(10-2)12(4)7-8-13-5/h6-8H2,1-5H3/b10-9+.
What are the key properties of 1-ethyl-1,2,3-trimethyl-3-(2-methylsulfanylethyl)guanidine?
1-ethyl-1,2,3-trimethyl-3-(2-methylsulfanylethyl)guanidine has a molecular weight of 203.35 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,2,3-trimethyl-3-(2-methylsulfanylethyl)guanidine is sourced from PubChem (CID 166733208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).