3-ethenylsulfonylpropan-1-amine

C5H11NO2S — CID 19078170

IUPAC3-ethenylsulfonylpropan-1-amine
SMILESC=CS(=O)(=O)CCCN
InChIInChI=1S/C5H11NO2S/c1-2-9(7,8)5-3-4-6/h2H,1,3-6H2
InChIKeyBOCJNHAIHJZKQR-UHFFFAOYSA-N
MW149.22 g/mol
LogP-0.11
Rot. Bonds4

About 3-ethenylsulfonylpropan-1-amine

3-ethenylsulfonylpropan-1-amine (PubChem CID 19078170) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is 3-ethenylsulfonylpropan-1-amine.

Molecular Properties

Compound Name3-ethenylsulfonylpropan-1-amine
PubChem CID19078170
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name3-ethenylsulfonylpropan-1-amine
SMILESC=CS(=O)(=O)CCCN
InChIInChI=1S/C5H11NO2S/c1-2-9(7,8)5-3-4-6/h2H,1,3-6H2
InChIKeyBOCJNHAIHJZKQR-UHFFFAOYSA-N
XLogP-0.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 3-ethenylsulfonylpropan-1-amine?
The IUPAC name of 3-ethenylsulfonylpropan-1-amine (CID 19078170) is 3-ethenylsulfonylpropan-1-amine.
What is the SMILES notation for 3-ethenylsulfonylpropan-1-amine?
The canonical SMILES for 3-ethenylsulfonylpropan-1-amine is C=CS(=O)(=O)CCCN.
What is the InChIKey of 3-ethenylsulfonylpropan-1-amine?
The InChIKey is BOCJNHAIHJZKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-2-9(7,8)5-3-4-6/h2H,1,3-6H2.
What are the key properties of 3-ethenylsulfonylpropan-1-amine?
3-ethenylsulfonylpropan-1-amine has a molecular weight of 149.22 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylsulfonylpropan-1-amine is sourced from PubChem (CID 19078170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).