3-[(E)-but-2-enyl]sulfonylpropan-1-amine

C7H15NO2S — CID 58684292

IUPAC3-[(E)-but-2-enyl]sulfonylpropan-1-amine
SMILESC/C=C/CS(=O)(=O)CCCN
InChIInChI=1S/C7H15NO2S/c1-2-3-6-11(9,10)7-4-5-8/h2-3H,4-8H2,1H3/b3-2+
InChIKeyIWLOYVMDVNYMDL-NSCUHMNNSA-N
MW177.27 g/mol
LogP0.33
Rot. Bonds5

About 3-[(E)-but-2-enyl]sulfonylpropan-1-amine

3-[(E)-but-2-enyl]sulfonylpropan-1-amine (PubChem CID 58684292) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 3-[(E)-but-2-enyl]sulfonylpropan-1-amine.

Molecular Properties

Compound Name3-[(E)-but-2-enyl]sulfonylpropan-1-amine
PubChem CID58684292
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name3-[(E)-but-2-enyl]sulfonylpropan-1-amine
SMILESC/C=C/CS(=O)(=O)CCCN
InChIInChI=1S/C7H15NO2S/c1-2-3-6-11(9,10)7-4-5-8/h2-3H,4-8H2,1H3/b3-2+
InChIKeyIWLOYVMDVNYMDL-NSCUHMNNSA-N
XLogP0.33
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-pent-3-enyl]sulfonylpropan-1-amine
CID 58684847
3-(3-methylbut-2-enylsulfonyl)propan-1-amine
CID 58684962
3-(3-aminopropylsulfonyl)propan-1-amine;dihydrochloride
CID 14585889
3-butylsulfonylpropan-1-amine
CID 43615632
5-prop-2-enylsulfonylpentan-1-amine
CID 87785063
3-(2-fluoroethylsulfonyl)propan-1-amine
CID 58684365
5-ethylsulfonylpentan-1-amine
CID 54172156
3-(2-methylpropylsulfonyl)propan-1-amine
CID 43444510
3-(3-methylbutylsulfonyl)propan-1-amine
CID 59317374
7-ethylsulfonylhept-3-en-1-amine
CID 79592026
3-(2-fluoropropylsulfonyl)propan-1-amine
CID 84659191
(Z)-hept-5-en-1-amine
CID 55299761

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-but-2-enyl]sulfonylpropan-1-amine?
The IUPAC name of 3-[(E)-but-2-enyl]sulfonylpropan-1-amine (CID 58684292) is 3-[(E)-but-2-enyl]sulfonylpropan-1-amine.
What is the SMILES notation for 3-[(E)-but-2-enyl]sulfonylpropan-1-amine?
The canonical SMILES for 3-[(E)-but-2-enyl]sulfonylpropan-1-amine is C/C=C/CS(=O)(=O)CCCN.
What is the InChIKey of 3-[(E)-but-2-enyl]sulfonylpropan-1-amine?
The InChIKey is IWLOYVMDVNYMDL-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-2-3-6-11(9,10)7-4-5-8/h2-3H,4-8H2,1H3/b3-2+.
What are the key properties of 3-[(E)-but-2-enyl]sulfonylpropan-1-amine?
3-[(E)-but-2-enyl]sulfonylpropan-1-amine has a molecular weight of 177.27 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-2-enyl]sulfonylpropan-1-amine is sourced from PubChem (CID 58684292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).