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

C8H16N2S — CID 156751202

IUPACN-ethenyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide
SMILESC=CN(CCCS)/C(C)=N/C
InChIInChI=1S/C8H16N2S/c1-4-10(6-5-7-11)8(2)9-3/h4,11H,1,5-7H2,2-3H3/b9-8+
InChIKeyIOTTZJWIEBOTHN-CMDGGOBGSA-N
MW172.30 g/mol
LogP1.80
Rot. Bonds4

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

N-ethenyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide (PubChem CID 156751202) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is N-ethenyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide.

Molecular Properties

Compound NameN-ethenyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide
PubChem CID156751202
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC NameN-ethenyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide
SMILESC=CN(CCCS)/C(C)=N/C
InChIInChI=1S/C8H16N2S/c1-4-10(6-5-7-11)8(2)9-3/h4,11H,1,5-7H2,2-3H3/b9-8+
InChIKeyIOTTZJWIEBOTHN-CMDGGOBGSA-N
XLogP1.80
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.80
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

N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide;ethane
CID 156861475
[1-(Dimethylamino)-1-ethenylimino-3-sulfanylpropan-2-ylidene]tungsten;methane
CID 157354940
ethane;N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide
CID 170645840
N-ethenyl-N'-methyl-N-propylethanimidamide
CID 174264596
N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide
CID 170645841

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide?
The IUPAC name of N-ethenyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide (CID 156751202) is N-ethenyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide.
What is the SMILES notation for N-ethenyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide?
The canonical SMILES for N-ethenyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide is C=CN(CCCS)/C(C)=N/C.
What is the InChIKey of N-ethenyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide?
The InChIKey is IOTTZJWIEBOTHN-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H16N2S/c1-4-10(6-5-7-11)8(2)9-3/h4,11H,1,5-7H2,2-3H3/b9-8+.
What are the key properties of N-ethenyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide?
N-ethenyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide has a molecular weight of 172.30 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide is sourced from PubChem (CID 156751202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).