2-[(E)-2-methylbut-2-enyl]sulfonylethanamine

C7H15NO2S — CID 58685088

IUPAC2-[(E)-2-methylbut-2-enyl]sulfonylethanamine
SMILESC/C=C(\C)CS(=O)(=O)CCN
InChIInChI=1S/C7H15NO2S/c1-3-7(2)6-11(9,10)5-4-8/h3H,4-6,8H2,1-2H3/b7-3+
InChIKeySWODOCJQPFLGOC-XVNBXDOJSA-N
MW177.27 g/mol
LogP0.33
Rot. Bonds4

About 2-[(E)-2-methylbut-2-enyl]sulfonylethanamine

2-[(E)-2-methylbut-2-enyl]sulfonylethanamine (PubChem CID 58685088) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-[(E)-2-methylbut-2-enyl]sulfonylethanamine.

Molecular Properties

Compound Name2-[(E)-2-methylbut-2-enyl]sulfonylethanamine
PubChem CID58685088
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name2-[(E)-2-methylbut-2-enyl]sulfonylethanamine
SMILESC/C=C(\C)CS(=O)(=O)CCN
InChIInChI=1S/C7H15NO2S/c1-3-7(2)6-11(9,10)5-4-8/h3H,4-6,8H2,1-2H3/b7-3+
InChIKeySWODOCJQPFLGOC-XVNBXDOJSA-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

4-(Ethanesulfonyl)but-2-en-1-amine hydrochloride
CID 177798537
3-Aminopropen-2-yl butylsulfone
CID 12356769
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
3-[(Z)-3-chlorobut-2-enyl]sulfonylpropan-1-amine
CID 58684384
3-[(E)-but-2-enyl]sulfinylpropan-1-amine
CID 58684397
2-[(E)-pent-3-enyl]sulfonylethanamine
CID 58684437
2-(3-Methylbut-2-enylsulfonyl)ethanamine
CID 58684439
2-(4-Methylpent-3-enylsulfonyl)ethanamine
CID 58684442
4-Prop-2-enylsulfonylbutan-2-amine
CID 58684475

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-methylbut-2-enyl]sulfonylethanamine?
The IUPAC name of 2-[(E)-2-methylbut-2-enyl]sulfonylethanamine (CID 58685088) is 2-[(E)-2-methylbut-2-enyl]sulfonylethanamine.
What is the SMILES notation for 2-[(E)-2-methylbut-2-enyl]sulfonylethanamine?
The canonical SMILES for 2-[(E)-2-methylbut-2-enyl]sulfonylethanamine is C/C=C(\C)CS(=O)(=O)CCN.
What is the InChIKey of 2-[(E)-2-methylbut-2-enyl]sulfonylethanamine?
The InChIKey is SWODOCJQPFLGOC-XVNBXDOJSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-3-7(2)6-11(9,10)5-4-8/h3H,4-6,8H2,1-2H3/b7-3+.
What are the key properties of 2-[(E)-2-methylbut-2-enyl]sulfonylethanamine?
2-[(E)-2-methylbut-2-enyl]sulfonylethanamine 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-[(E)-2-methylbut-2-enyl]sulfonylethanamine is sourced from PubChem (CID 58685088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).