N-[(2S)-2-ethylsulfanylpropyl]methanimine

C6H13NS — CID 142816780

IUPACN-[(2S)-2-ethylsulfanylpropyl]methanimine
SMILESC=NC[C@H](C)SCC
InChIInChI=1S/C6H13NS/c1-4-8-6(2)5-7-3/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyQBNOSGWBXMLKLF-LURJTMIESA-N
MW131.24 g/mol
LogP1.83
Rot. Bonds4

About N-[(2S)-2-ethylsulfanylpropyl]methanimine

N-[(2S)-2-ethylsulfanylpropyl]methanimine (PubChem CID 142816780) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is N-[(2S)-2-ethylsulfanylpropyl]methanimine.

Molecular Properties

Compound NameN-[(2S)-2-ethylsulfanylpropyl]methanimine
PubChem CID142816780
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC NameN-[(2S)-2-ethylsulfanylpropyl]methanimine
SMILESC=NC[C@H](C)SCC
InChIInChI=1S/C6H13NS/c1-4-8-6(2)5-7-3/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyQBNOSGWBXMLKLF-LURJTMIESA-N
XLogP1.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.83
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-[(2S)-2-ethylsulfanylpropyl]methanimine?
The IUPAC name of N-[(2S)-2-ethylsulfanylpropyl]methanimine (CID 142816780) is N-[(2S)-2-ethylsulfanylpropyl]methanimine.
What is the SMILES notation for N-[(2S)-2-ethylsulfanylpropyl]methanimine?
The canonical SMILES for N-[(2S)-2-ethylsulfanylpropyl]methanimine is C=NC[C@H](C)SCC.
What is the InChIKey of N-[(2S)-2-ethylsulfanylpropyl]methanimine?
The InChIKey is QBNOSGWBXMLKLF-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NS/c1-4-8-6(2)5-7-3/h6H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of N-[(2S)-2-ethylsulfanylpropyl]methanimine?
N-[(2S)-2-ethylsulfanylpropyl]methanimine has a molecular weight of 131.24 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-ethylsulfanylpropyl]methanimine is sourced from PubChem (CID 142816780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).