2-methyl-3-methylsulfonylpropan-1-amine

C5H13NO2S — CID 64696825

IUPAC2-methyl-3-methylsulfonylpropan-1-amine
SMILESCC(CN)CS(C)(=O)=O
InChIInChI=1S/C5H13NO2S/c1-5(3-6)4-9(2,7)8/h5H,3-4,6H2,1-2H3
InChIKeyDXMRNUATHPBEPA-UHFFFAOYSA-N
MW151.23 g/mol
LogP-0.37
Rot. Bonds3

About 2-methyl-3-methylsulfonylpropan-1-amine

2-methyl-3-methylsulfonylpropan-1-amine (PubChem CID 64696825) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is 2-methyl-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-3-methylsulfonylpropan-1-amine
PubChem CID64696825
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC Name2-methyl-3-methylsulfonylpropan-1-amine
SMILESCC(CN)CS(C)(=O)=O
InChIInChI=1S/C5H13NO2S/c1-5(3-6)4-9(2,7)8/h5H,3-4,6H2,1-2H3
InChIKeyDXMRNUATHPBEPA-UHFFFAOYSA-N
XLogP-0.37
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-methylsulfonylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfonylpropan-1-amine?
The IUPAC name of 2-methyl-3-methylsulfonylpropan-1-amine (CID 64696825) is 2-methyl-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for 2-methyl-3-methylsulfonylpropan-1-amine?
The canonical SMILES for 2-methyl-3-methylsulfonylpropan-1-amine is CC(CN)CS(C)(=O)=O.
What is the InChIKey of 2-methyl-3-methylsulfonylpropan-1-amine?
The InChIKey is DXMRNUATHPBEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-5(3-6)4-9(2,7)8/h5H,3-4,6H2,1-2H3.
What are the key properties of 2-methyl-3-methylsulfonylpropan-1-amine?
2-methyl-3-methylsulfonylpropan-1-amine has a molecular weight of 151.23 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 64696825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).