N-(propylsulfanylmethyl)methanimine

C5H11NS — CID 123814099

IUPACN-(propylsulfanylmethyl)methanimine
SMILESC=NCSCCC
InChIInChI=1S/C5H11NS/c1-3-4-7-5-6-2/h2-5H2,1H3
InChIKeyFGYYNNWWEJENTD-UHFFFAOYSA-N
MW117.22 g/mol
LogP1.79
Rot. Bonds4

About N-(propylsulfanylmethyl)methanimine

N-(propylsulfanylmethyl)methanimine (PubChem CID 123814099) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is N-(propylsulfanylmethyl)methanimine.

Molecular Properties

Compound NameN-(propylsulfanylmethyl)methanimine
PubChem CID123814099
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC NameN-(propylsulfanylmethyl)methanimine
SMILESC=NCSCCC
InChIInChI=1S/C5H11NS/c1-3-4-7-5-6-2/h2-5H2,1H3
InChIKeyFGYYNNWWEJENTD-UHFFFAOYSA-N
XLogP1.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(propylsulfanylmethyl)methanimine?
The IUPAC name of N-(propylsulfanylmethyl)methanimine (CID 123814099) is N-(propylsulfanylmethyl)methanimine.
What is the SMILES notation for N-(propylsulfanylmethyl)methanimine?
The canonical SMILES for N-(propylsulfanylmethyl)methanimine is C=NCSCCC.
What is the InChIKey of N-(propylsulfanylmethyl)methanimine?
The InChIKey is FGYYNNWWEJENTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-3-4-7-5-6-2/h2-5H2,1H3.
What are the key properties of N-(propylsulfanylmethyl)methanimine?
N-(propylsulfanylmethyl)methanimine has a molecular weight of 117.22 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propylsulfanylmethyl)methanimine is sourced from PubChem (CID 123814099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).