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

C5H10BrNOS — CID 58684163

IUPAC2-[(E)-3-bromoprop-2-enyl]sulfinylethanamine
SMILESNCCS(=O)C/C=C/Br
InChIInChI=1S/C5H10BrNOS/c6-2-1-4-9(8)5-3-7/h1-2H,3-5,7H2/b2-1+
InChIKeyAXVNGSCRQHMQDV-OWOJBTEDSA-N
MW212.11 g/mol
LogP0.60
Rot. Bonds4

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

2-[(E)-3-bromoprop-2-enyl]sulfinylethanamine (PubChem CID 58684163) has the molecular formula C5H10BrNOS and a molecular weight of 212.11 g/mol. Its IUPAC name is 2-[(E)-3-bromoprop-2-enyl]sulfinylethanamine.

Molecular Properties

Compound Name2-[(E)-3-bromoprop-2-enyl]sulfinylethanamine
PubChem CID58684163
Molecular FormulaC5H10BrNOS
Molecular Weight212.11 g/mol
Exact Mass210.97
IUPAC Name2-[(E)-3-bromoprop-2-enyl]sulfinylethanamine
SMILESNCCS(=O)C/C=C/Br
InChIInChI=1S/C5H10BrNOS/c6-2-1-4-9(8)5-3-7/h1-2H,3-5,7H2/b2-1+
InChIKeyAXVNGSCRQHMQDV-OWOJBTEDSA-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]sulfonylethanamine
CID 58684176
2-[(E)-but-2-enyl]sulfinylethanamine
CID 58684340
2-(2-Bromoprop-2-enylsulfinyl)ethanamine
CID 58684349
2-[(E)-3-bromoprop-2-enyl]sulfanylethanamine
CID 58684417
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
3-[(E)-3-bromoprop-2-enyl]sulfinylpropan-1-amine
CID 58685148
2-(3-Bromoprop-2-enylsulfonyl)ethanamine
CID 72390977
2-(3-Bromoprop-2-enylsulfanyl)ethanamine
CID 72391094
3-(3-Bromoprop-2-enylsulfonyl)propan-1-amine
CID 72391323

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-bromoprop-2-enyl]sulfinylethanamine?
The IUPAC name of 2-[(E)-3-bromoprop-2-enyl]sulfinylethanamine (CID 58684163) is 2-[(E)-3-bromoprop-2-enyl]sulfinylethanamine.
What is the SMILES notation for 2-[(E)-3-bromoprop-2-enyl]sulfinylethanamine?
The canonical SMILES for 2-[(E)-3-bromoprop-2-enyl]sulfinylethanamine is NCCS(=O)C/C=C/Br.
What is the InChIKey of 2-[(E)-3-bromoprop-2-enyl]sulfinylethanamine?
The InChIKey is AXVNGSCRQHMQDV-OWOJBTEDSA-N. The full InChI is InChI=1S/C5H10BrNOS/c6-2-1-4-9(8)5-3-7/h1-2H,3-5,7H2/b2-1+.
What are the key properties of 2-[(E)-3-bromoprop-2-enyl]sulfinylethanamine?
2-[(E)-3-bromoprop-2-enyl]sulfinylethanamine 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-[(E)-3-bromoprop-2-enyl]sulfinylethanamine is sourced from PubChem (CID 58684163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).