N-[(Z)-2-tert-butylsulfanylprop-1-enyl]methanimine

C8H15NS — CID 167254693

IUPACN-[(Z)-2-tert-butylsulfanylprop-1-enyl]methanimine
SMILESC=N/C=C(/C)SC(C)(C)C
InChIInChI=1S/C8H15NS/c1-7(6-9-5)10-8(2,3)4/h6H,5H2,1-4H3/b7-6-
InChIKeyHIKMIWAKRLLGDY-SREVYHEPSA-N
MW157.28 g/mol
LogP3.08
Rot. Bonds2

About N-[(Z)-2-tert-butylsulfanylprop-1-enyl]methanimine

N-[(Z)-2-tert-butylsulfanylprop-1-enyl]methanimine (PubChem CID 167254693) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is N-[(Z)-2-tert-butylsulfanylprop-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2-tert-butylsulfanylprop-1-enyl]methanimine
PubChem CID167254693
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC NameN-[(Z)-2-tert-butylsulfanylprop-1-enyl]methanimine
SMILESC=N/C=C(/C)SC(C)(C)C
InChIInChI=1S/C8H15NS/c1-7(6-9-5)10-8(2,3)4/h6H,5H2,1-4H3/b7-6-
InChIKeyHIKMIWAKRLLGDY-SREVYHEPSA-N
XLogP3.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 53.08
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-tert-butylsulfanylprop-1-enyl]methanimine?
The IUPAC name of N-[(Z)-2-tert-butylsulfanylprop-1-enyl]methanimine (CID 167254693) is N-[(Z)-2-tert-butylsulfanylprop-1-enyl]methanimine.
What is the SMILES notation for N-[(Z)-2-tert-butylsulfanylprop-1-enyl]methanimine?
The canonical SMILES for N-[(Z)-2-tert-butylsulfanylprop-1-enyl]methanimine is C=N/C=C(/C)SC(C)(C)C.
What is the InChIKey of N-[(Z)-2-tert-butylsulfanylprop-1-enyl]methanimine?
The InChIKey is HIKMIWAKRLLGDY-SREVYHEPSA-N. The full InChI is InChI=1S/C8H15NS/c1-7(6-9-5)10-8(2,3)4/h6H,5H2,1-4H3/b7-6-.
What are the key properties of N-[(Z)-2-tert-butylsulfanylprop-1-enyl]methanimine?
N-[(Z)-2-tert-butylsulfanylprop-1-enyl]methanimine has a molecular weight of 157.28 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-tert-butylsulfanylprop-1-enyl]methanimine is sourced from PubChem (CID 167254693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).