N-[(Z)-2-ethenylsulfanyl-3-methylbut-1-enyl]ethanimine

C9H15NS — CID 146493360

IUPACN-[(Z)-2-ethenylsulfanyl-3-methylbut-1-enyl]ethanimine
SMILESC=CS/C(=C\N=C\C)C(C)C
InChIInChI=1S/C9H15NS/c1-5-10-7-9(8(3)4)11-6-2/h5-8H,2H2,1,3-4H3/b9-7-,10-5+
InChIKeyBKLGEBUTNRUGCS-WRBIUVHKSA-N
MW169.29 g/mol
LogP3.45
Rot. Bonds4

About N-[(Z)-2-ethenylsulfanyl-3-methylbut-1-enyl]ethanimine

N-[(Z)-2-ethenylsulfanyl-3-methylbut-1-enyl]ethanimine (PubChem CID 146493360) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is N-[(Z)-2-ethenylsulfanyl-3-methylbut-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-2-ethenylsulfanyl-3-methylbut-1-enyl]ethanimine
PubChem CID146493360
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC NameN-[(Z)-2-ethenylsulfanyl-3-methylbut-1-enyl]ethanimine
SMILESC=CS/C(=C\N=C\C)C(C)C
InChIInChI=1S/C9H15NS/c1-5-10-7-9(8(3)4)11-6-2/h5-8H,2H2,1,3-4H3/b9-7-,10-5+
InChIKeyBKLGEBUTNRUGCS-WRBIUVHKSA-N
XLogP3.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-ethenylsulfanyl-3-methylbut-1-enyl]ethanimine?
The IUPAC name of N-[(Z)-2-ethenylsulfanyl-3-methylbut-1-enyl]ethanimine (CID 146493360) is N-[(Z)-2-ethenylsulfanyl-3-methylbut-1-enyl]ethanimine.
What is the SMILES notation for N-[(Z)-2-ethenylsulfanyl-3-methylbut-1-enyl]ethanimine?
The canonical SMILES for N-[(Z)-2-ethenylsulfanyl-3-methylbut-1-enyl]ethanimine is C=CS/C(=C\N=C\C)C(C)C.
What is the InChIKey of N-[(Z)-2-ethenylsulfanyl-3-methylbut-1-enyl]ethanimine?
The InChIKey is BKLGEBUTNRUGCS-WRBIUVHKSA-N. The full InChI is InChI=1S/C9H15NS/c1-5-10-7-9(8(3)4)11-6-2/h5-8H,2H2,1,3-4H3/b9-7-,10-5+.
What are the key properties of N-[(Z)-2-ethenylsulfanyl-3-methylbut-1-enyl]ethanimine?
N-[(Z)-2-ethenylsulfanyl-3-methylbut-1-enyl]ethanimine has a molecular weight of 169.29 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-ethenylsulfanyl-3-methylbut-1-enyl]ethanimine is sourced from PubChem (CID 146493360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).