N-methyl-1-methylsulfonylpropan-1-imine

C5H11NO2S — CID 91137206

IUPACN-methyl-1-methylsulfonylpropan-1-imine
SMILESCC/C(=N\C)S(C)(=O)=O
InChIInChI=1S/C5H11NO2S/c1-4-5(6-2)9(3,7)8/h4H2,1-3H3/b6-5+
InChIKeyAPJYYEGUHPIHIY-AATRIKPKSA-N
MW149.22 g/mol
LogP0.47
Rot. Bonds1

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

N-methyl-1-methylsulfonylpropan-1-imine (PubChem CID 91137206) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is N-methyl-1-methylsulfonylpropan-1-imine.

Molecular Properties

Compound NameN-methyl-1-methylsulfonylpropan-1-imine
PubChem CID91137206
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC NameN-methyl-1-methylsulfonylpropan-1-imine
SMILESCC/C(=N\C)S(C)(=O)=O
InChIInChI=1S/C5H11NO2S/c1-4-5(6-2)9(3,7)8/h4H2,1-3H3/b6-5+
InChIKeyAPJYYEGUHPIHIY-AATRIKPKSA-N
XLogP0.47
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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N-(N,S-dimethylsulfonimidoyl)ethanamine
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N-(N,S-dimethylsulfonimidoyl)-N-ethylethanamine
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cobalt;ethanesulfonic acid
CID 162463828

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-methylsulfonylpropan-1-imine?
The IUPAC name of N-methyl-1-methylsulfonylpropan-1-imine (CID 91137206) is N-methyl-1-methylsulfonylpropan-1-imine.
What is the SMILES notation for N-methyl-1-methylsulfonylpropan-1-imine?
The canonical SMILES for N-methyl-1-methylsulfonylpropan-1-imine is CC/C(=N\C)S(C)(=O)=O.
What is the InChIKey of N-methyl-1-methylsulfonylpropan-1-imine?
The InChIKey is APJYYEGUHPIHIY-AATRIKPKSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-4-5(6-2)9(3,7)8/h4H2,1-3H3/b6-5+.
What are the key properties of N-methyl-1-methylsulfonylpropan-1-imine?
N-methyl-1-methylsulfonylpropan-1-imine has a molecular weight of 149.22 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methylsulfonylpropan-1-imine is sourced from PubChem (CID 91137206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).