2-(2-bromoprop-2-enylsulfonyl)ethanamine

C5H10BrNO2S — CID 58684643

IUPAC2-(2-bromoprop-2-enylsulfonyl)ethanamine
SMILESC=C(Br)CS(=O)(=O)CCN
InChIInChI=1S/C5H10BrNO2S/c1-5(6)4-10(8,9)3-2-7/h1-4,7H2
InChIKeyREYGJMCQDPPDSI-UHFFFAOYSA-N
MW228.11 g/mol
LogP0.27
Rot. Bonds4

About 2-(2-bromoprop-2-enylsulfonyl)ethanamine

2-(2-bromoprop-2-enylsulfonyl)ethanamine (PubChem CID 58684643) has the molecular formula C5H10BrNO2S and a molecular weight of 228.11 g/mol. Its IUPAC name is 2-(2-bromoprop-2-enylsulfonyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromoprop-2-enylsulfonyl)ethanamine
PubChem CID58684643
Molecular FormulaC5H10BrNO2S
Molecular Weight228.11 g/mol
Exact Mass226.96
IUPAC Name2-(2-bromoprop-2-enylsulfonyl)ethanamine
SMILESC=C(Br)CS(=O)(=O)CCN
InChIInChI=1S/C5H10BrNO2S/c1-5(6)4-10(8,9)3-2-7/h1-4,7H2
InChIKeyREYGJMCQDPPDSI-UHFFFAOYSA-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

2-(2-Fluoroprop-2-enylsulfonyl)ethanamine
CID 58684671
2-[(E)-3-bromoprop-2-enyl]sulfonylethanamine
CID 58684176
2-(2-Bromoprop-2-enylsulfinyl)ethanamine
CID 58684349
3-[(E)-3-bromoprop-2-enyl]sulfonylpropan-1-amine
CID 58684883
3-(2-Aminoethanesulfonyl)prop-1-ene
CID 58685067
2-(3-Bromoprop-2-enylsulfonyl)ethanamine
CID 72390977
3-(3-Bromoprop-2-enylsulfonyl)propan-1-amine
CID 72391323
3-Prop-1-en-2-ylsulfonylpropan-1-amine
CID 164141128
2-bromo-N-(2-ethylsulfonylethyl)prop-2-en-1-amine
CID 116029482

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoprop-2-enylsulfonyl)ethanamine?
The IUPAC name of 2-(2-bromoprop-2-enylsulfonyl)ethanamine (CID 58684643) is 2-(2-bromoprop-2-enylsulfonyl)ethanamine.
What is the SMILES notation for 2-(2-bromoprop-2-enylsulfonyl)ethanamine?
The canonical SMILES for 2-(2-bromoprop-2-enylsulfonyl)ethanamine is C=C(Br)CS(=O)(=O)CCN.
What is the InChIKey of 2-(2-bromoprop-2-enylsulfonyl)ethanamine?
The InChIKey is REYGJMCQDPPDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrNO2S/c1-5(6)4-10(8,9)3-2-7/h1-4,7H2.
What are the key properties of 2-(2-bromoprop-2-enylsulfonyl)ethanamine?
2-(2-bromoprop-2-enylsulfonyl)ethanamine 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-(2-bromoprop-2-enylsulfonyl)ethanamine is sourced from PubChem (CID 58684643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).