N-[(E)-3-ethenylsulfanylbut-2-en-2-yl]ethanimine

C8H13NS — CID 155130289

IUPACN-[(E)-3-ethenylsulfanylbut-2-en-2-yl]ethanimine
SMILESC=CS/C(C)=C(C)/N=C/C
InChIInChI=1S/C8H13NS/c1-5-9-7(3)8(4)10-6-2/h5-6H,2H2,1,3-4H3/b8-7+,9-5+
InChIKeyVYAKUOCMPQJYST-DMQCZMPNSA-N
MW155.27 g/mol
LogP3.21
Rot. Bonds3

About N-[(E)-3-ethenylsulfanylbut-2-en-2-yl]ethanimine

N-[(E)-3-ethenylsulfanylbut-2-en-2-yl]ethanimine (PubChem CID 155130289) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is N-[(E)-3-ethenylsulfanylbut-2-en-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(E)-3-ethenylsulfanylbut-2-en-2-yl]ethanimine
PubChem CID155130289
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC NameN-[(E)-3-ethenylsulfanylbut-2-en-2-yl]ethanimine
SMILESC=CS/C(C)=C(C)/N=C/C
InChIInChI=1S/C8H13NS/c1-5-9-7(3)8(4)10-6-2/h5-6H,2H2,1,3-4H3/b8-7+,9-5+
InChIKeyVYAKUOCMPQJYST-DMQCZMPNSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimine
CID 138528700
N-[(2E)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimine
CID 126593521
N-ethylideneacetamide
CID 21338179
N-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]ethanimine
CID 146259127
1-[1-(ethylideneamino)ethylideneamino]ethylidenevanadium
CID 21359429
N-[(Z)-1-methylsulfanylprop-1-en-2-yl]ethanimine
CID 130370297
ethane;(Z)-2-ethenylsulfanylprop-1-en-1-amine
CID 171648945
N-[(4Z)-2,5-dimethylhepta-2,4,6-trien-3-yl]ethanimine
CID 166650843
N-ethylidene-N'-methylethanimidamide
CID 58796711
(Z)-2-ethenylsulfanylpent-2-ene
CID 142149125
(E)-2-(ethylideneamino)-N-(2-iodoethyl)-1-(methylideneamino)prop-1-en-1-amine
CID 142460265
methane;N-methylmethanimine;propan-2-one;prop-1-ene
CID 159454527

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-ethenylsulfanylbut-2-en-2-yl]ethanimine?
The IUPAC name of N-[(E)-3-ethenylsulfanylbut-2-en-2-yl]ethanimine (CID 155130289) is N-[(E)-3-ethenylsulfanylbut-2-en-2-yl]ethanimine.
What is the SMILES notation for N-[(E)-3-ethenylsulfanylbut-2-en-2-yl]ethanimine?
The canonical SMILES for N-[(E)-3-ethenylsulfanylbut-2-en-2-yl]ethanimine is C=CS/C(C)=C(C)/N=C/C.
What is the InChIKey of N-[(E)-3-ethenylsulfanylbut-2-en-2-yl]ethanimine?
The InChIKey is VYAKUOCMPQJYST-DMQCZMPNSA-N. The full InChI is InChI=1S/C8H13NS/c1-5-9-7(3)8(4)10-6-2/h5-6H,2H2,1,3-4H3/b8-7+,9-5+.
What are the key properties of N-[(E)-3-ethenylsulfanylbut-2-en-2-yl]ethanimine?
N-[(E)-3-ethenylsulfanylbut-2-en-2-yl]ethanimine has a molecular weight of 155.27 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-ethenylsulfanylbut-2-en-2-yl]ethanimine is sourced from PubChem (CID 155130289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).