N-methyl-2-methylsulfanylethanimine

C4H9NS — CID 22943232

IUPACN-methyl-2-methylsulfanylethanimine
SMILESC/N=C/CSC
InChIInChI=1S/C4H9NS/c1-5-3-4-6-2/h3H,4H2,1-2H3/b5-3+
InChIKeyQJOIXCMNGKBFEI-HWKANZROSA-N
MW103.19 g/mol
LogP1.05
Rot. Bonds2

About N-methyl-2-methylsulfanylethanimine

N-methyl-2-methylsulfanylethanimine (PubChem CID 22943232) has the molecular formula C4H9NS and a molecular weight of 103.19 g/mol. Its IUPAC name is N-methyl-2-methylsulfanylethanimine.

Molecular Properties

Compound NameN-methyl-2-methylsulfanylethanimine
PubChem CID22943232
Molecular FormulaC4H9NS
Molecular Weight103.19 g/mol
Exact Mass103.05
IUPAC NameN-methyl-2-methylsulfanylethanimine
SMILESC/N=C/CSC
InChIInChI=1S/C4H9NS/c1-5-3-4-6-2/h3H,4H2,1-2H3/b5-3+
InChIKeyQJOIXCMNGKBFEI-HWKANZROSA-N
XLogP1.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.19
LogP ≤ 51.05
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-methyl-2-methylsulfanylethanimine?
The IUPAC name of N-methyl-2-methylsulfanylethanimine (CID 22943232) is N-methyl-2-methylsulfanylethanimine.
What is the SMILES notation for N-methyl-2-methylsulfanylethanimine?
The canonical SMILES for N-methyl-2-methylsulfanylethanimine is C/N=C/CSC.
What is the InChIKey of N-methyl-2-methylsulfanylethanimine?
The InChIKey is QJOIXCMNGKBFEI-HWKANZROSA-N. The full InChI is InChI=1S/C4H9NS/c1-5-3-4-6-2/h3H,4H2,1-2H3/b5-3+.
What are the key properties of N-methyl-2-methylsulfanylethanimine?
N-methyl-2-methylsulfanylethanimine has a molecular weight of 103.19 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanylethanimine is sourced from PubChem (CID 22943232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).