2-ethenylsulfonylpropan-1-amine

C5H11NO2S — CID 87997872

IUPAC2-ethenylsulfonylpropan-1-amine
SMILESC=CS(=O)(=O)C(C)CN
InChIInChI=1S/C5H11NO2S/c1-3-9(7,8)5(2)4-6/h3,5H,1,4,6H2,2H3
InChIKeySVMZWYJNFGENBG-UHFFFAOYSA-N
MW149.22 g/mol
LogP-0.11
Rot. Bonds3

About 2-ethenylsulfonylpropan-1-amine

2-ethenylsulfonylpropan-1-amine (PubChem CID 87997872) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is 2-ethenylsulfonylpropan-1-amine.

Molecular Properties

Compound Name2-ethenylsulfonylpropan-1-amine
PubChem CID87997872
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name2-ethenylsulfonylpropan-1-amine
SMILESC=CS(=O)(=O)C(C)CN
InChIInChI=1S/C5H11NO2S/c1-3-9(7,8)5(2)4-6/h3,5H,1,4,6H2,2H3
InChIKeySVMZWYJNFGENBG-UHFFFAOYSA-N
XLogP-0.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfonylpropan-1-amine?
The IUPAC name of 2-ethenylsulfonylpropan-1-amine (CID 87997872) is 2-ethenylsulfonylpropan-1-amine.
What is the SMILES notation for 2-ethenylsulfonylpropan-1-amine?
The canonical SMILES for 2-ethenylsulfonylpropan-1-amine is C=CS(=O)(=O)C(C)CN.
What is the InChIKey of 2-ethenylsulfonylpropan-1-amine?
The InChIKey is SVMZWYJNFGENBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-3-9(7,8)5(2)4-6/h3,5H,1,4,6H2,2H3.
What are the key properties of 2-ethenylsulfonylpropan-1-amine?
2-ethenylsulfonylpropan-1-amine has a molecular weight of 149.22 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfonylpropan-1-amine is sourced from PubChem (CID 87997872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).