2-[(E)-3-bromoprop-2-enyl]sulfonylethanamine

C5H10BrNO2S — CID 58684176

IUPAC2-[(E)-3-bromoprop-2-enyl]sulfonylethanamine
SMILESNCCS(=O)(=O)C/C=C/Br
InChIInChI=1S/C5H10BrNO2S/c6-2-1-4-10(8,9)5-3-7/h1-2H,3-5,7H2/b2-1+
InChIKeyWBNMPJLLWKVFCJ-OWOJBTEDSA-N
MW228.11 g/mol
LogP0.27
Rot. Bonds4

About 2-[(E)-3-bromoprop-2-enyl]sulfonylethanamine

2-[(E)-3-bromoprop-2-enyl]sulfonylethanamine (PubChem CID 58684176) has the molecular formula C5H10BrNO2S and a molecular weight of 228.11 g/mol. Its IUPAC name is 2-[(E)-3-bromoprop-2-enyl]sulfonylethanamine.

Molecular Properties

Compound Name2-[(E)-3-bromoprop-2-enyl]sulfonylethanamine
PubChem CID58684176
Molecular FormulaC5H10BrNO2S
Molecular Weight228.11 g/mol
Exact Mass226.96
IUPAC Name2-[(E)-3-bromoprop-2-enyl]sulfonylethanamine
SMILESNCCS(=O)(=O)C/C=C/Br
InChIInChI=1S/C5H10BrNO2S/c6-2-1-4-10(8,9)5-3-7/h1-2H,3-5,7H2/b2-1+
InChIKeyWBNMPJLLWKVFCJ-OWOJBTEDSA-N
XLogP0.27
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.11
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Aminoethanesulfonyl)prop-1-ene hydrochloride
CID 75480358
2-[(E)-3-bromoprop-2-enyl]sulfinylethanamine
CID 58684163
3-Prop-2-enylsulfonylpropan-1-amine
CID 58684572
2-[(E)-but-2-enyl]sulfonylethanamine
CID 58684635
2-(2-Bromoprop-2-enylsulfonyl)ethanamine
CID 58684643
3-[(E)-3-bromoprop-2-enyl]sulfonylpropan-1-amine
CID 58684883
3-(2-Aminoethanesulfonyl)prop-1-ene
CID 58685067
3-[(E)-3-bromoprop-2-enyl]sulfinylpropan-1-amine
CID 58685148
2-(3-Bromoprop-2-enylsulfonyl)ethanamine
CID 72390977
2-But-2-enylsulfonylethanamine
CID 72391195
3-(3-Bromoprop-2-enylsulfonyl)propan-1-amine
CID 72391323
3-bromo-N-prop-2-enylpropane-1-sulfonamide
CID 16081383

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-bromoprop-2-enyl]sulfonylethanamine?
The IUPAC name of 2-[(E)-3-bromoprop-2-enyl]sulfonylethanamine (CID 58684176) is 2-[(E)-3-bromoprop-2-enyl]sulfonylethanamine.
What is the SMILES notation for 2-[(E)-3-bromoprop-2-enyl]sulfonylethanamine?
The canonical SMILES for 2-[(E)-3-bromoprop-2-enyl]sulfonylethanamine is NCCS(=O)(=O)C/C=C/Br.
What is the InChIKey of 2-[(E)-3-bromoprop-2-enyl]sulfonylethanamine?
The InChIKey is WBNMPJLLWKVFCJ-OWOJBTEDSA-N. The full InChI is InChI=1S/C5H10BrNO2S/c6-2-1-4-10(8,9)5-3-7/h1-2H,3-5,7H2/b2-1+.
What are the key properties of 2-[(E)-3-bromoprop-2-enyl]sulfonylethanamine?
2-[(E)-3-bromoprop-2-enyl]sulfonylethanamine has a molecular weight of 228.11 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-bromoprop-2-enyl]sulfonylethanamine is sourced from PubChem (CID 58684176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).