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

C10H24N2S — CID 170645840

IUPACethane;N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide
SMILESCC.CCN(CCCS)/C(C)=N/C
InChIInChI=1S/C8H18N2S.C2H6/c1-4-10(6-5-7-11)8(2)9-3;1-2/h11H,4-7H2,1-3H3;1-2H3/b9-8+;
InChIKeyGJALGQLGHRAAFN-HRNDJLQDSA-N
MW204.38 g/mol
LogP2.70
Rot. Bonds4

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

ethane;N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide (PubChem CID 170645840) has the molecular formula C10H24N2S and a molecular weight of 204.38 g/mol. Its IUPAC name is ethane;N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide.

Molecular Properties

Compound Nameethane;N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide
PubChem CID170645840
Molecular FormulaC10H24N2S
Molecular Weight204.38 g/mol
Exact Mass204.17
IUPAC Nameethane;N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide
SMILESCC.CCN(CCCS)/C(C)=N/C
InChIInChI=1S/C8H18N2S.C2H6/c1-4-10(6-5-7-11)8(2)9-3;1-2/h11H,4-7H2,1-3H3;1-2H3/b9-8+;
InChIKeyGJALGQLGHRAAFN-HRNDJLQDSA-N
XLogP2.70
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.38
LogP ≤ 52.70
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
[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
N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide
CID 170645841

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide?
The IUPAC name of ethane;N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide (CID 170645840) is ethane;N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide.
What is the SMILES notation for ethane;N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide?
The canonical SMILES for ethane;N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide is CC.CCN(CCCS)/C(C)=N/C.
What is the InChIKey of ethane;N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide?
The InChIKey is GJALGQLGHRAAFN-HRNDJLQDSA-N. The full InChI is InChI=1S/C8H18N2S.C2H6/c1-4-10(6-5-7-11)8(2)9-3;1-2/h11H,4-7H2,1-3H3;1-2H3/b9-8+;.
What are the key properties of ethane;N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide?
ethane;N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide has a molecular weight of 204.38 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide is sourced from PubChem (CID 170645840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).