N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide

C8H18N2S — CID 170645841

IUPACN-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide
SMILESCCN(CCCS)/C(C)=N/C
InChIInChI=1S/C8H18N2S/c1-4-10(6-5-7-11)8(2)9-3/h11H,4-7H2,1-3H3/b9-8+
InChIKeyKNYFCMVBCYNVBD-CMDGGOBGSA-N
MW174.31 g/mol
LogP1.68
Rot. Bonds4

About N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide

N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide (PubChem CID 170645841) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide
PubChem CID170645841
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC NameN-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide
SMILESCCN(CCCS)/C(C)=N/C
InChIInChI=1S/C8H18N2S/c1-4-10(6-5-7-11)8(2)9-3/h11H,4-7H2,1-3H3/b9-8+
InChIKeyKNYFCMVBCYNVBD-CMDGGOBGSA-N
XLogP1.68
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(C,N-dimethylcarbonimidoyl)azetidine-3-thiol
CID 19069722
N,N'-diethyl-N-(ethylsulfanylmethyl)ethanimidamide
CID 123463688
1-methyl-5,6-dihydro-4H-pyrimidine-2-carbothialdehyde
CID 123750285
N-[amino-[methyl(propyl)amino]methylidene]-N'-methyl-2-sulfanylethanimidamide;ethane
CID 144623062
N-ethenyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide
CID 156751202
N,N-diethyl-N'-methylethanimidamide;ethane;propane-1-thiol
CID 156751234
N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide;ethane
CID 156861475
(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)methanethiol
CID 163429469
ethane;N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide
CID 170645840
[1-(Diethylamino)-3-sulfanyl-3-sulfanylidenepropylidene]-diethylazanium
CID 101120563
N-[amino-[methyl(propyl)amino]methylidene]-N'-methyl-2-sulfanylethanimidamide
CID 144623063
N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide
CID 156861476

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide?
The IUPAC name of N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide (CID 170645841) is N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide.
What is the SMILES notation for N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide?
The canonical SMILES for N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide is CCN(CCCS)/C(C)=N/C.
What is the InChIKey of N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide?
The InChIKey is KNYFCMVBCYNVBD-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H18N2S/c1-4-10(6-5-7-11)8(2)9-3/h11H,4-7H2,1-3H3/b9-8+.
What are the key properties of N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide?
N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide has a molecular weight of 174.31 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide is sourced from PubChem (CID 170645841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).