2-(3-methylbut-2-enylsulfonyl)ethanamine

C7H15NO2S — CID 58684439

IUPAC2-(3-methylbut-2-enylsulfonyl)ethanamine
SMILESCC(C)=CCS(=O)(=O)CCN
InChIInChI=1S/C7H15NO2S/c1-7(2)3-5-11(9,10)6-4-8/h3H,4-6,8H2,1-2H3
InChIKeyHRBPLYSYXIHRPF-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.33
Rot. Bonds4

About 2-(3-methylbut-2-enylsulfonyl)ethanamine

2-(3-methylbut-2-enylsulfonyl)ethanamine (PubChem CID 58684439) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-(3-methylbut-2-enylsulfonyl)ethanamine.

Molecular Properties

Compound Name2-(3-methylbut-2-enylsulfonyl)ethanamine
PubChem CID58684439
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name2-(3-methylbut-2-enylsulfonyl)ethanamine
SMILESCC(C)=CCS(=O)(=O)CCN
InChIInChI=1S/C7H15NO2S/c1-7(2)3-5-11(9,10)6-4-8/h3H,4-6,8H2,1-2H3
InChIKeyHRBPLYSYXIHRPF-UHFFFAOYSA-N
XLogP0.33
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-(2-Aminoethanesulfonyl)prop-1-ene hydrochloride
CID 75480358
4-(Ethanesulfonyl)but-2-en-1-amine hydrochloride
CID 177798537
4-Methanesulfonylbut-2-en-1-amine hydrochloride
CID 177798546
(Z)-3-fluoro-4-methylsulfonylbut-2-en-1-amine
CID 162481050
3-Ethylsulfonylprop-2-en-1-amine
CID 56620607
3-(2-Methylprop-2-enylsulfonyl)propan-1-amine
CID 58684037
3-[(E)-2-methylbut-2-enyl]sulfonylpropan-1-amine
CID 58684118
3-[(E)-but-2-enyl]sulfonylpropan-1-amine
CID 58684292
3-[(E)-2-methylbut-2-enyl]sulfinylpropan-1-amine
CID 58684305
2-[(E)-but-2-enyl]sulfinylethanamine
CID 58684340
3-[(Z)-3-chlorobut-2-enyl]sulfonylpropan-1-amine
CID 58684384
2-(4-Methylpent-3-enylsulfonyl)ethanamine
CID 58684442

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-2-enylsulfonyl)ethanamine?
The IUPAC name of 2-(3-methylbut-2-enylsulfonyl)ethanamine (CID 58684439) is 2-(3-methylbut-2-enylsulfonyl)ethanamine.
What is the SMILES notation for 2-(3-methylbut-2-enylsulfonyl)ethanamine?
The canonical SMILES for 2-(3-methylbut-2-enylsulfonyl)ethanamine is CC(C)=CCS(=O)(=O)CCN.
What is the InChIKey of 2-(3-methylbut-2-enylsulfonyl)ethanamine?
The InChIKey is HRBPLYSYXIHRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-7(2)3-5-11(9,10)6-4-8/h3H,4-6,8H2,1-2H3.
What are the key properties of 2-(3-methylbut-2-enylsulfonyl)ethanamine?
2-(3-methylbut-2-enylsulfonyl)ethanamine has a molecular weight of 177.27 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-2-enylsulfonyl)ethanamine is sourced from PubChem (CID 58684439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).