2-(4-methylpent-3-enylsulfonyl)ethanamine

C8H17NO2S — CID 58684442

IUPAC2-(4-methylpent-3-enylsulfonyl)ethanamine
SMILESCC(C)=CCCS(=O)(=O)CCN
InChIInChI=1S/C8H17NO2S/c1-8(2)4-3-6-12(10,11)7-5-9/h4H,3,5-7,9H2,1-2H3
InChIKeyVCIRWEMIKAUQFL-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.72
Rot. Bonds5

About 2-(4-methylpent-3-enylsulfonyl)ethanamine

2-(4-methylpent-3-enylsulfonyl)ethanamine (PubChem CID 58684442) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-(4-methylpent-3-enylsulfonyl)ethanamine.

Molecular Properties

Compound Name2-(4-methylpent-3-enylsulfonyl)ethanamine
PubChem CID58684442
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name2-(4-methylpent-3-enylsulfonyl)ethanamine
SMILESCC(C)=CCCS(=O)(=O)CCN
InChIInChI=1S/C8H17NO2S/c1-8(2)4-3-6-12(10,11)7-5-9/h4H,3,5-7,9H2,1-2H3
InChIKeyVCIRWEMIKAUQFL-UHFFFAOYSA-N
XLogP0.72
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpent-3-enylsulfonyl)ethanamine?
The IUPAC name of 2-(4-methylpent-3-enylsulfonyl)ethanamine (CID 58684442) is 2-(4-methylpent-3-enylsulfonyl)ethanamine.
What is the SMILES notation for 2-(4-methylpent-3-enylsulfonyl)ethanamine?
The canonical SMILES for 2-(4-methylpent-3-enylsulfonyl)ethanamine is CC(C)=CCCS(=O)(=O)CCN.
What is the InChIKey of 2-(4-methylpent-3-enylsulfonyl)ethanamine?
The InChIKey is VCIRWEMIKAUQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-8(2)4-3-6-12(10,11)7-5-9/h4H,3,5-7,9H2,1-2H3.
What are the key properties of 2-(4-methylpent-3-enylsulfonyl)ethanamine?
2-(4-methylpent-3-enylsulfonyl)ethanamine has a molecular weight of 191.30 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpent-3-enylsulfonyl)ethanamine is sourced from PubChem (CID 58684442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).