N-(2-methyl-1-prop-1-en-2-ylsulfanylprop-1-enyl)prop-2-en-1-imine

C10H15NS — CID 123978732

IUPACN-(2-methyl-1-prop-1-en-2-ylsulfanylprop-1-enyl)prop-2-en-1-imine
SMILESC=CC=NC(SC(=C)C)=C(C)C
InChIInChI=1S/C10H15NS/c1-6-7-11-10(8(2)3)12-9(4)5/h6-7H,1,4H2,2-3,5H3
InChIKeyHOGXBZJSJGCIBI-UHFFFAOYSA-N
MW181.30 g/mol
LogP3.76
Rot. Bonds4

About N-(2-methyl-1-prop-1-en-2-ylsulfanylprop-1-enyl)prop-2-en-1-imine

N-(2-methyl-1-prop-1-en-2-ylsulfanylprop-1-enyl)prop-2-en-1-imine (PubChem CID 123978732) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is N-(2-methyl-1-prop-1-en-2-ylsulfanylprop-1-enyl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-(2-methyl-1-prop-1-en-2-ylsulfanylprop-1-enyl)prop-2-en-1-imine
PubChem CID123978732
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC NameN-(2-methyl-1-prop-1-en-2-ylsulfanylprop-1-enyl)prop-2-en-1-imine
SMILESC=CC=NC(SC(=C)C)=C(C)C
InChIInChI=1S/C10H15NS/c1-6-7-11-10(8(2)3)12-9(4)5/h6-7H,1,4H2,2-3,5H3
InChIKeyHOGXBZJSJGCIBI-UHFFFAOYSA-N
XLogP3.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.76
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-(1-methylsulfanylethenyl)prop-2-en-1-imine
CID 123510710
N-(2-methylprop-1-enyl)-2-methylsulfanylprop-2-en-1-imine
CID 123521389
N-[(1E)-1-tert-butylsulfanylbuta-1,3-dienyl]prop-2-en-1-imine
CID 173774354

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-prop-1-en-2-ylsulfanylprop-1-enyl)prop-2-en-1-imine?
The IUPAC name of N-(2-methyl-1-prop-1-en-2-ylsulfanylprop-1-enyl)prop-2-en-1-imine (CID 123978732) is N-(2-methyl-1-prop-1-en-2-ylsulfanylprop-1-enyl)prop-2-en-1-imine.
What is the SMILES notation for N-(2-methyl-1-prop-1-en-2-ylsulfanylprop-1-enyl)prop-2-en-1-imine?
The canonical SMILES for N-(2-methyl-1-prop-1-en-2-ylsulfanylprop-1-enyl)prop-2-en-1-imine is C=CC=NC(SC(=C)C)=C(C)C.
What is the InChIKey of N-(2-methyl-1-prop-1-en-2-ylsulfanylprop-1-enyl)prop-2-en-1-imine?
The InChIKey is HOGXBZJSJGCIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-6-7-11-10(8(2)3)12-9(4)5/h6-7H,1,4H2,2-3,5H3.
What are the key properties of N-(2-methyl-1-prop-1-en-2-ylsulfanylprop-1-enyl)prop-2-en-1-imine?
N-(2-methyl-1-prop-1-en-2-ylsulfanylprop-1-enyl)prop-2-en-1-imine has a molecular weight of 181.30 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-prop-1-en-2-ylsulfanylprop-1-enyl)prop-2-en-1-imine is sourced from PubChem (CID 123978732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).