2-(2-bromoprop-2-enylsulfinyl)ethanamine

C5H10BrNOS — CID 58684349

IUPAC2-(2-bromoprop-2-enylsulfinyl)ethanamine
SMILESC=C(Br)CS(=O)CCN
InChIInChI=1S/C5H10BrNOS/c1-5(6)4-9(8)3-2-7/h1-4,7H2
InChIKeyWGHPETIVYRYIPX-UHFFFAOYSA-N
MW212.11 g/mol
LogP0.60
Rot. Bonds4

About 2-(2-bromoprop-2-enylsulfinyl)ethanamine

2-(2-bromoprop-2-enylsulfinyl)ethanamine (PubChem CID 58684349) has the molecular formula C5H10BrNOS and a molecular weight of 212.11 g/mol. Its IUPAC name is 2-(2-bromoprop-2-enylsulfinyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromoprop-2-enylsulfinyl)ethanamine
PubChem CID58684349
Molecular FormulaC5H10BrNOS
Molecular Weight212.11 g/mol
Exact Mass210.97
IUPAC Name2-(2-bromoprop-2-enylsulfinyl)ethanamine
SMILESC=C(Br)CS(=O)CCN
InChIInChI=1S/C5H10BrNOS/c1-5(6)4-9(8)3-2-7/h1-4,7H2
InChIKeyWGHPETIVYRYIPX-UHFFFAOYSA-N
XLogP0.60
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.11
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-3-bromoprop-2-enyl]sulfinylethanamine
CID 58684163
2-(2-Bromoprop-2-enylsulfanyl)ethanamine
CID 58684198
2-(2-Bromoprop-2-enylsulfonyl)ethanamine
CID 58684643
3-(2-Bromoprop-2-enylsulfanyl)propan-1-amine
CID 58685061
3-[(E)-3-bromoprop-2-enyl]sulfinylpropan-1-amine
CID 58685148
2-Prop-1-en-2-ylsulfinylethanamine
CID 132194809
2-(2-Bromoprop-2-enylsulfanyl)propan-1-amine
CID 66220078
2-bromo-N-(2-ethylsulfinylethyl)prop-2-en-1-amine
CID 116258336

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoprop-2-enylsulfinyl)ethanamine?
The IUPAC name of 2-(2-bromoprop-2-enylsulfinyl)ethanamine (CID 58684349) is 2-(2-bromoprop-2-enylsulfinyl)ethanamine.
What is the SMILES notation for 2-(2-bromoprop-2-enylsulfinyl)ethanamine?
The canonical SMILES for 2-(2-bromoprop-2-enylsulfinyl)ethanamine is C=C(Br)CS(=O)CCN.
What is the InChIKey of 2-(2-bromoprop-2-enylsulfinyl)ethanamine?
The InChIKey is WGHPETIVYRYIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrNOS/c1-5(6)4-9(8)3-2-7/h1-4,7H2.
What are the key properties of 2-(2-bromoprop-2-enylsulfinyl)ethanamine?
2-(2-bromoprop-2-enylsulfinyl)ethanamine has a molecular weight of 212.11 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoprop-2-enylsulfinyl)ethanamine is sourced from PubChem (CID 58684349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).