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

C6H12BrNOS — CID 58685148

IUPAC3-[(E)-3-bromoprop-2-enyl]sulfinylpropan-1-amine
SMILESNCCCS(=O)C/C=C/Br
InChIInChI=1S/C6H12BrNOS/c7-3-1-5-10(9)6-2-4-8/h1,3H,2,4-6,8H2/b3-1+
InChIKeyRWMAXAQUOHRGDT-HNQUOIGGSA-N
MW226.14 g/mol
LogP0.99
Rot. Bonds5

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

3-[(E)-3-bromoprop-2-enyl]sulfinylpropan-1-amine (PubChem CID 58685148) has the molecular formula C6H12BrNOS and a molecular weight of 226.14 g/mol. Its IUPAC name is 3-[(E)-3-bromoprop-2-enyl]sulfinylpropan-1-amine.

Molecular Properties

Compound Name3-[(E)-3-bromoprop-2-enyl]sulfinylpropan-1-amine
PubChem CID58685148
Molecular FormulaC6H12BrNOS
Molecular Weight226.14 g/mol
Exact Mass224.98
IUPAC Name3-[(E)-3-bromoprop-2-enyl]sulfinylpropan-1-amine
SMILESNCCCS(=O)C/C=C/Br
InChIInChI=1S/C6H12BrNOS/c7-3-1-5-10(9)6-2-4-8/h1,3H,2,4-6,8H2/b3-1+
InChIKeyRWMAXAQUOHRGDT-HNQUOIGGSA-N
XLogP0.99
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.14
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-3-bromoprop-2-enyl]sulfinylethanamine
CID 58684163
2-[(E)-3-bromoprop-2-enyl]sulfonylethanamine
CID 58684176
2-(2-Bromoprop-2-enylsulfinyl)ethanamine
CID 58684349
3-Prop-2-enylsulfinylbutan-1-amine
CID 58684374
3-[(E)-but-2-enyl]sulfinylpropan-1-amine
CID 58684397
2-[(E)-3-bromoprop-2-enyl]sulfanylethanamine
CID 58684417
3-But-3-enylsulfinylpropan-1-amine
CID 58684424
3-Prop-2-enylsulfinylpropan-1-amine
CID 58684512
2-Prop-2-enylsulfinylethanamine
CID 58684853
3-[(E)-3-bromoprop-2-enyl]sulfonylpropan-1-amine
CID 58684883
2-But-3-enylsulfinylethanamine
CID 58684942
2-(3-Bromoprop-2-enylsulfonyl)ethanamine
CID 72390977

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-bromoprop-2-enyl]sulfinylpropan-1-amine?
The IUPAC name of 3-[(E)-3-bromoprop-2-enyl]sulfinylpropan-1-amine (CID 58685148) is 3-[(E)-3-bromoprop-2-enyl]sulfinylpropan-1-amine.
What is the SMILES notation for 3-[(E)-3-bromoprop-2-enyl]sulfinylpropan-1-amine?
The canonical SMILES for 3-[(E)-3-bromoprop-2-enyl]sulfinylpropan-1-amine is NCCCS(=O)C/C=C/Br.
What is the InChIKey of 3-[(E)-3-bromoprop-2-enyl]sulfinylpropan-1-amine?
The InChIKey is RWMAXAQUOHRGDT-HNQUOIGGSA-N. The full InChI is InChI=1S/C6H12BrNOS/c7-3-1-5-10(9)6-2-4-8/h1,3H,2,4-6,8H2/b3-1+.
What are the key properties of 3-[(E)-3-bromoprop-2-enyl]sulfinylpropan-1-amine?
3-[(E)-3-bromoprop-2-enyl]sulfinylpropan-1-amine has a molecular weight of 226.14 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-bromoprop-2-enyl]sulfinylpropan-1-amine is sourced from PubChem (CID 58685148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).