N-methyl-3-methylsulfonylpropan-1-imine

C5H11NO2S — CID 149342112

IUPACN-methyl-3-methylsulfonylpropan-1-imine
SMILESC/N=C/CCS(C)(=O)=O
InChIInChI=1S/C5H11NO2S/c1-6-4-3-5-9(2,7)8/h4H,3,5H2,1-2H3/b6-4+
InChIKeyYEJQIPRKMVROFB-GQCTYLIASA-N
MW149.22 g/mol
LogP0.12
Rot. Bonds3

About N-methyl-3-methylsulfonylpropan-1-imine

N-methyl-3-methylsulfonylpropan-1-imine (PubChem CID 149342112) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is N-methyl-3-methylsulfonylpropan-1-imine.

Molecular Properties

Compound NameN-methyl-3-methylsulfonylpropan-1-imine
PubChem CID149342112
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC NameN-methyl-3-methylsulfonylpropan-1-imine
SMILESC/N=C/CCS(C)(=O)=O
InChIInChI=1S/C5H11NO2S/c1-6-4-3-5-9(2,7)8/h4H,3,5H2,1-2H3/b6-4+
InChIKeyYEJQIPRKMVROFB-GQCTYLIASA-N
XLogP0.12
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-3-methylsulfonylpropan-1-imine?
The IUPAC name of N-methyl-3-methylsulfonylpropan-1-imine (CID 149342112) is N-methyl-3-methylsulfonylpropan-1-imine.
What is the SMILES notation for N-methyl-3-methylsulfonylpropan-1-imine?
The canonical SMILES for N-methyl-3-methylsulfonylpropan-1-imine is C/N=C/CCS(C)(=O)=O.
What is the InChIKey of N-methyl-3-methylsulfonylpropan-1-imine?
The InChIKey is YEJQIPRKMVROFB-GQCTYLIASA-N. The full InChI is InChI=1S/C5H11NO2S/c1-6-4-3-5-9(2,7)8/h4H,3,5H2,1-2H3/b6-4+.
What are the key properties of N-methyl-3-methylsulfonylpropan-1-imine?
N-methyl-3-methylsulfonylpropan-1-imine has a molecular weight of 149.22 g/mol, XLogP of 0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfonylpropan-1-imine is sourced from PubChem (CID 149342112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).