2-(3-bromophenyl)sulfinylethanamine

C8H10BrNOS — CID 62803372

IUPAC2-(3-bromophenyl)sulfinylethanamine
SMILESNCCS(=O)c1cccc(Br)c1
InChIInChI=1S/C8H10BrNOS/c9-7-2-1-3-8(6-7)12(11)5-4-10/h1-3,6H,4-5,10H2
InChIKeySWFVLWWFBIQPPF-UHFFFAOYSA-N
MW248.14 g/mol
LogP1.52
Rot. Bonds3

About 2-(3-bromophenyl)sulfinylethanamine

2-(3-bromophenyl)sulfinylethanamine (PubChem CID 62803372) has the molecular formula C8H10BrNOS and a molecular weight of 248.14 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfinylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfinylethanamine
PubChem CID62803372
Molecular FormulaC8H10BrNOS
Molecular Weight248.14 g/mol
Exact Mass246.97
IUPAC Name2-(3-bromophenyl)sulfinylethanamine
SMILESNCCS(=O)c1cccc(Br)c1
InChIInChI=1S/C8H10BrNOS/c9-7-2-1-3-8(6-7)12(11)5-4-10/h1-3,6H,4-5,10H2
InChIKeySWFVLWWFBIQPPF-UHFFFAOYSA-N
XLogP1.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.14
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-[(S)-butylsulfinyl]benzene
CID 95969928
4-(3-bromophenyl)sulfinylbutan-2-amine
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2-(3-chlorophenyl)sulfinylethanamine
CID 62645966
2-[2-(3-bromophenyl)sulfinylethyl]aniline
CID 55119913
2-[(S)-phenylsulfinyl]ethanamine
CID 51410895
4-(3-bromophenyl)sulfinylbutanenitrile
CID 64690435
3-(3-bromophenyl)sulfinyl-N-methylpropan-1-amine
CID 64657406
6-(3-bromophenyl)sulfinylhexan-3-amine
CID 106807869
6-(3-bromophenyl)sulfinylhexan-2-one
CID 64637383
3-[(3-bromophenyl)methylsulfinyl]aniline
CID 81181362
4-[(3-bromophenyl)sulfinylmethyl]-2-fluorobenzoic acid
CID 106700646
1-(3-bromophenyl)sulfinyl-N-methylpropan-2-amine
CID 64658579

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfinylethanamine?
The IUPAC name of 2-(3-bromophenyl)sulfinylethanamine (CID 62803372) is 2-(3-bromophenyl)sulfinylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)sulfinylethanamine?
The canonical SMILES for 2-(3-bromophenyl)sulfinylethanamine is NCCS(=O)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)sulfinylethanamine?
The InChIKey is SWFVLWWFBIQPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNOS/c9-7-2-1-3-8(6-7)12(11)5-4-10/h1-3,6H,4-5,10H2.
What are the key properties of 2-(3-bromophenyl)sulfinylethanamine?
2-(3-bromophenyl)sulfinylethanamine has a molecular weight of 248.14 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfinylethanamine is sourced from PubChem (CID 62803372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).