2-(2-methylprop-2-enylsulfonyl)ethanamine

C6H13NO2S — CID 58684849

IUPAC2-(2-methylprop-2-enylsulfonyl)ethanamine
SMILESC=C(C)CS(=O)(=O)CCN
InChIInChI=1S/C6H13NO2S/c1-6(2)5-10(8,9)4-3-7/h1,3-5,7H2,2H3
InChIKeyGFVQWTKFVILPAW-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.06
Rot. Bonds4

About 2-(2-methylprop-2-enylsulfonyl)ethanamine

2-(2-methylprop-2-enylsulfonyl)ethanamine (PubChem CID 58684849) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 2-(2-methylprop-2-enylsulfonyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylprop-2-enylsulfonyl)ethanamine
PubChem CID58684849
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name2-(2-methylprop-2-enylsulfonyl)ethanamine
SMILESC=C(C)CS(=O)(=O)CCN
InChIInChI=1S/C6H13NO2S/c1-6(2)5-10(8,9)4-3-7/h1,3-5,7H2,2H3
InChIKeyGFVQWTKFVILPAW-UHFFFAOYSA-N
XLogP-0.06
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.06
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-(Ethanesulfonyl)propan-1-amine
CID 21458690
2-(2-Aminoethanesulfonyl)-2-methylpropane
CID 43444511
2-(2-Fluoroprop-2-enylsulfonyl)ethanamine
CID 58684671
3-(2-Fluoroprop-2-enylsulfonyl)propan-1-amine
CID 58685099
3-Aminopropen-2-yl butylsulfone
CID 12356769
3-Propylsulfonylpropan-1-amine
CID 20792595
3-(2-Methylpropane-2-sulfonyl)propan-1-amine
CID 21458678
1-(Butylsulfonyl)eth-2-ylamine
CID 21749622
2-(Propylsulfonyl)ethanamine
CID 22017896
2-(Isobutylsulfonyl)ethanamine
CID 33780198
3-Propan-2-ylsulfonylpropan-1-amine
CID 39236043
2-Butan-2-ylsulfonylethanamine
CID 43444509

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enylsulfonyl)ethanamine?
The IUPAC name of 2-(2-methylprop-2-enylsulfonyl)ethanamine (CID 58684849) is 2-(2-methylprop-2-enylsulfonyl)ethanamine.
What is the SMILES notation for 2-(2-methylprop-2-enylsulfonyl)ethanamine?
The canonical SMILES for 2-(2-methylprop-2-enylsulfonyl)ethanamine is C=C(C)CS(=O)(=O)CCN.
What is the InChIKey of 2-(2-methylprop-2-enylsulfonyl)ethanamine?
The InChIKey is GFVQWTKFVILPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-6(2)5-10(8,9)4-3-7/h1,3-5,7H2,2H3.
What are the key properties of 2-(2-methylprop-2-enylsulfonyl)ethanamine?
2-(2-methylprop-2-enylsulfonyl)ethanamine has a molecular weight of 163.24 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enylsulfonyl)ethanamine is sourced from PubChem (CID 58684849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).