2-methylsulfonylpropan-1-amine

C4H11NO2S — CID 54446112

IUPAC2-methylsulfonylpropan-1-amine
SMILESCC(CN)S(C)(=O)=O
InChIInChI=1S/C4H11NO2S/c1-4(3-5)8(2,6)7/h4H,3,5H2,1-2H3
InChIKeyPXTJZUBIUFLKMD-UHFFFAOYSA-N
MW137.20 g/mol
LogP-0.62
Rot. Bonds2

About 2-methylsulfonylpropan-1-amine

2-methylsulfonylpropan-1-amine (PubChem CID 54446112) has the molecular formula C4H11NO2S and a molecular weight of 137.20 g/mol. Its IUPAC name is 2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name2-methylsulfonylpropan-1-amine
PubChem CID54446112
Molecular FormulaC4H11NO2S
Molecular Weight137.20 g/mol
Exact Mass137.05
IUPAC Name2-methylsulfonylpropan-1-amine
SMILESCC(CN)S(C)(=O)=O
InChIInChI=1S/C4H11NO2S/c1-4(3-5)8(2,6)7/h4H,3,5H2,1-2H3
InChIKeyPXTJZUBIUFLKMD-UHFFFAOYSA-N
XLogP-0.62
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.20
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonylpropan-1-amine?
The IUPAC name of 2-methylsulfonylpropan-1-amine (CID 54446112) is 2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 2-methylsulfonylpropan-1-amine?
The canonical SMILES for 2-methylsulfonylpropan-1-amine is CC(CN)S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonylpropan-1-amine?
The InChIKey is PXTJZUBIUFLKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2S/c1-4(3-5)8(2,6)7/h4H,3,5H2,1-2H3.
What are the key properties of 2-methylsulfonylpropan-1-amine?
2-methylsulfonylpropan-1-amine has a molecular weight of 137.20 g/mol, XLogP of -0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 54446112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).