1-ethyl-2-[ethyl(dimethyl)-λ4-sulfanyl]-1-methylguanidine

C8H21N3S — CID 123573863

IUPAC1-ethyl-2-[ethyl(dimethyl)-λ4-sulfanyl]-1-methylguanidine
SMILESCCN(C)C(N)=NS(C)(C)CC
InChIInChI=1S/C8H21N3S/c1-6-11(3)8(9)10-12(4,5)7-2/h6-7H2,1-5H3,(H2,9,10)
InChIKeyXIVCMHJPZCPQIE-UHFFFAOYSA-N
MW191.34 g/mol
LogP1.25
Rot. Bonds3

About 1-ethyl-2-[ethyl(dimethyl)-λ4-sulfanyl]-1-methylguanidine

1-ethyl-2-[ethyl(dimethyl)-λ4-sulfanyl]-1-methylguanidine (PubChem CID 123573863) has the molecular formula C8H21N3S and a molecular weight of 191.34 g/mol. Its IUPAC name is 1-ethyl-2-[ethyl(dimethyl)-λ4-sulfanyl]-1-methylguanidine.

Molecular Properties

Compound Name1-ethyl-2-[ethyl(dimethyl)-λ4-sulfanyl]-1-methylguanidine
PubChem CID123573863
Molecular FormulaC8H21N3S
Molecular Weight191.34 g/mol
Exact Mass191.15
IUPAC Name1-ethyl-2-[ethyl(dimethyl)-λ4-sulfanyl]-1-methylguanidine
SMILESCCN(C)C(N)=NS(C)(C)CC
InChIInChI=1S/C8H21N3S/c1-6-11(3)8(9)10-12(4,5)7-2/h6-7H2,1-5H3,(H2,9,10)
InChIKeyXIVCMHJPZCPQIE-UHFFFAOYSA-N
XLogP1.25
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 51.25
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[ethyl(dimethyl)-λ4-sulfanyl]-1-methylguanidine?
The IUPAC name of 1-ethyl-2-[ethyl(dimethyl)-λ4-sulfanyl]-1-methylguanidine (CID 123573863) is 1-ethyl-2-[ethyl(dimethyl)-λ4-sulfanyl]-1-methylguanidine.
What is the SMILES notation for 1-ethyl-2-[ethyl(dimethyl)-λ4-sulfanyl]-1-methylguanidine?
The canonical SMILES for 1-ethyl-2-[ethyl(dimethyl)-λ4-sulfanyl]-1-methylguanidine is CCN(C)C(N)=NS(C)(C)CC.
What is the InChIKey of 1-ethyl-2-[ethyl(dimethyl)-λ4-sulfanyl]-1-methylguanidine?
The InChIKey is XIVCMHJPZCPQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3S/c1-6-11(3)8(9)10-12(4,5)7-2/h6-7H2,1-5H3,(H2,9,10).
What are the key properties of 1-ethyl-2-[ethyl(dimethyl)-λ4-sulfanyl]-1-methylguanidine?
1-ethyl-2-[ethyl(dimethyl)-λ4-sulfanyl]-1-methylguanidine has a molecular weight of 191.34 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[ethyl(dimethyl)-λ4-sulfanyl]-1-methylguanidine is sourced from PubChem (CID 123573863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).