3-[(E)-3-bromoprop-2-enyl]sulfonylpropan-1-amine

C6H12BrNO2S — CID 58684883

IUPAC3-[(E)-3-bromoprop-2-enyl]sulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)C/C=C/Br
InChIInChI=1S/C6H12BrNO2S/c7-3-1-5-11(9,10)6-2-4-8/h1,3H,2,4-6,8H2/b3-1+
InChIKeyNXGCNMWFLHSGLR-HNQUOIGGSA-N
MW242.14 g/mol
LogP0.66
Rot. Bonds5

About 3-[(E)-3-bromoprop-2-enyl]sulfonylpropan-1-amine

3-[(E)-3-bromoprop-2-enyl]sulfonylpropan-1-amine (PubChem CID 58684883) has the molecular formula C6H12BrNO2S and a molecular weight of 242.14 g/mol. Its IUPAC name is 3-[(E)-3-bromoprop-2-enyl]sulfonylpropan-1-amine.

Molecular Properties

Compound Name3-[(E)-3-bromoprop-2-enyl]sulfonylpropan-1-amine
PubChem CID58684883
Molecular FormulaC6H12BrNO2S
Molecular Weight242.14 g/mol
Exact Mass240.98
IUPAC Name3-[(E)-3-bromoprop-2-enyl]sulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)C/C=C/Br
InChIInChI=1S/C6H12BrNO2S/c7-3-1-5-11(9,10)6-2-4-8/h1,3H,2,4-6,8H2/b3-1+
InChIKeyNXGCNMWFLHSGLR-HNQUOIGGSA-N
XLogP0.66
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.14
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Aminoethanesulfonyl)prop-1-ene hydrochloride
CID 75480358
3-(2-Bromoethylsulfonyl)propan-1-amine
CID 19434774
2-[(E)-3-bromoprop-2-enyl]sulfinylethanamine
CID 58684163
2-[(E)-3-bromoprop-2-enyl]sulfonylethanamine
CID 58684176
3-[(E)-but-2-enyl]sulfonylpropan-1-amine
CID 58684292
3-Prop-2-enylsulfonylpropan-1-amine
CID 58684572
2-(2-Bromoprop-2-enylsulfonyl)ethanamine
CID 58684643
3-Prop-2-enylsulfonylbutan-1-amine
CID 58684919
2-But-3-enylsulfonylethanamine
CID 58684979
3-But-3-enylsulfonylpropan-1-amine
CID 58685057
3-(2-Aminoethanesulfonyl)prop-1-ene
CID 58685067
3-[(E)-3-bromoprop-2-enyl]sulfinylpropan-1-amine
CID 58685148

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-bromoprop-2-enyl]sulfonylpropan-1-amine?
The IUPAC name of 3-[(E)-3-bromoprop-2-enyl]sulfonylpropan-1-amine (CID 58684883) is 3-[(E)-3-bromoprop-2-enyl]sulfonylpropan-1-amine.
What is the SMILES notation for 3-[(E)-3-bromoprop-2-enyl]sulfonylpropan-1-amine?
The canonical SMILES for 3-[(E)-3-bromoprop-2-enyl]sulfonylpropan-1-amine is NCCCS(=O)(=O)C/C=C/Br.
What is the InChIKey of 3-[(E)-3-bromoprop-2-enyl]sulfonylpropan-1-amine?
The InChIKey is NXGCNMWFLHSGLR-HNQUOIGGSA-N. The full InChI is InChI=1S/C6H12BrNO2S/c7-3-1-5-11(9,10)6-2-4-8/h1,3H,2,4-6,8H2/b3-1+.
What are the key properties of 3-[(E)-3-bromoprop-2-enyl]sulfonylpropan-1-amine?
3-[(E)-3-bromoprop-2-enyl]sulfonylpropan-1-amine has a molecular weight of 242.14 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-bromoprop-2-enyl]sulfonylpropan-1-amine is sourced from PubChem (CID 58684883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).