N,N'-diethyl-N-(ethylsulfanylmethyl)ethanimidamide

C9H20N2S — CID 123463688

IUPACN,N'-diethyl-N-(ethylsulfanylmethyl)ethanimidamide
SMILESCC/N=C(\C)N(CC)CSCC
InChIInChI=1S/C9H20N2S/c1-5-10-9(4)11(6-2)8-12-7-3/h5-8H2,1-4H3/b10-9+
InChIKeyQUHSEGTXIKATDW-MDZDMXLPSA-N
MW188.34 g/mol
LogP2.46
Rot. Bonds5

About N,N'-diethyl-N-(ethylsulfanylmethyl)ethanimidamide

N,N'-diethyl-N-(ethylsulfanylmethyl)ethanimidamide (PubChem CID 123463688) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is N,N'-diethyl-N-(ethylsulfanylmethyl)ethanimidamide.

Molecular Properties

Compound NameN,N'-diethyl-N-(ethylsulfanylmethyl)ethanimidamide
PubChem CID123463688
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC NameN,N'-diethyl-N-(ethylsulfanylmethyl)ethanimidamide
SMILESCC/N=C(\C)N(CC)CSCC
InChIInChI=1S/C9H20N2S/c1-5-10-9(4)11(6-2)8-12-7-3/h5-8H2,1-4H3/b10-9+
InChIKeyQUHSEGTXIKATDW-MDZDMXLPSA-N
XLogP2.46
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-butyl-2-butylsulfanyl-N,N-diethylethanimidamide
CID 12386447
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylethanimidamide
CID 11240743
N,N-diethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 12718866
N,N-dimethyl-N'-(1-methylsulfanylethyl)ethanimidamide
CID 57606988
N,N-dimethyl-N'-(1-methylsulfanylethyl)ethanimidamide
CID 76624379
[Diethylamino(ethylsulfanyl)methylidene]-dimethylazanium iodide
CID 87470771
[Diethylamino(ethylsulfanyl)methylidene]-diethylazanium iodide
CID 87472894
N,N-diethyl-4,5-dihydro-1,3-thiazol-2-amine;ethane
CID 143435711
1,1,3,4-Tetramethyl-5,6-dihydro-1,2,4-thiadiazine
CID 143829286
N,N-diethyl-N'-methylethanimidamide;ethane;propane-1-thiol
CID 156751234
N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide;ethane
CID 156861475
ethane;N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide
CID 170645840

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-N-(ethylsulfanylmethyl)ethanimidamide?
The IUPAC name of N,N'-diethyl-N-(ethylsulfanylmethyl)ethanimidamide (CID 123463688) is N,N'-diethyl-N-(ethylsulfanylmethyl)ethanimidamide.
What is the SMILES notation for N,N'-diethyl-N-(ethylsulfanylmethyl)ethanimidamide?
The canonical SMILES for N,N'-diethyl-N-(ethylsulfanylmethyl)ethanimidamide is CC/N=C(\C)N(CC)CSCC.
What is the InChIKey of N,N'-diethyl-N-(ethylsulfanylmethyl)ethanimidamide?
The InChIKey is QUHSEGTXIKATDW-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H20N2S/c1-5-10-9(4)11(6-2)8-12-7-3/h5-8H2,1-4H3/b10-9+.
What are the key properties of N,N'-diethyl-N-(ethylsulfanylmethyl)ethanimidamide?
N,N'-diethyl-N-(ethylsulfanylmethyl)ethanimidamide has a molecular weight of 188.34 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N-(ethylsulfanylmethyl)ethanimidamide is sourced from PubChem (CID 123463688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).