5-(4-bromophenyl)sulfinylpentan-2-amine

C11H16BrNOS — CID 64653239

IUPAC5-(4-bromophenyl)sulfinylpentan-2-amine
SMILESCC(N)CCCS(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H16BrNOS/c1-9(13)3-2-8-15(14)11-6-4-10(12)5-7-11/h4-7,9H,2-3,8,13H2,1H3
InChIKeyARAOAWYFUNXPMX-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.68
Rot. Bonds5

About 5-(4-bromophenyl)sulfinylpentan-2-amine

5-(4-bromophenyl)sulfinylpentan-2-amine (PubChem CID 64653239) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 5-(4-bromophenyl)sulfinylpentan-2-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)sulfinylpentan-2-amine
PubChem CID64653239
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name5-(4-bromophenyl)sulfinylpentan-2-amine
SMILESCC(N)CCCS(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H16BrNOS/c1-9(13)3-2-8-15(14)11-6-4-10(12)5-7-11/h4-7,9H,2-3,8,13H2,1H3
InChIKeyARAOAWYFUNXPMX-UHFFFAOYSA-N
XLogP2.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminobutyl)-4-(4-bromophenyl)sulfinylbutanamide
CID 119499048
6-(4-chlorophenyl)sulfinylhexan-2-amine
CID 64659612
1-bromo-4-[(S)-butylsulfinyl]benzene
CID 124588146
5-(4-bromophenyl)sulfinylpentan-1-amine
CID 81328453
3-(4-bromophenyl)sulfinyl-N-methylpropan-1-amine
CID 64652409
4-(4-propan-2-ylphenyl)sulfinylbutan-2-amine
CID 64659709
4-(3-bromophenyl)sulfinylbutan-2-amine
CID 64660137
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)pentan-2-amine
CID 113318461
4-[(R)-(4-bromophenyl)sulfinyl]-N,N-diethylbutanamide
CID 95323115
4-[(S)-(4-bromophenyl)sulfinyl]-N-[(2R)-butan-2-yl]butanamide
CID 95323144
6-(3-bromophenyl)sulfinylhexan-3-amine
CID 106807869
N-(3-aminopropyl)-3-(4-bromophenyl)sulfinyl-N-methylpropanamide
CID 81329247

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)sulfinylpentan-2-amine?
The IUPAC name of 5-(4-bromophenyl)sulfinylpentan-2-amine (CID 64653239) is 5-(4-bromophenyl)sulfinylpentan-2-amine.
What is the SMILES notation for 5-(4-bromophenyl)sulfinylpentan-2-amine?
The canonical SMILES for 5-(4-bromophenyl)sulfinylpentan-2-amine is CC(N)CCCS(=O)c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)sulfinylpentan-2-amine?
The InChIKey is ARAOAWYFUNXPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-9(13)3-2-8-15(14)11-6-4-10(12)5-7-11/h4-7,9H,2-3,8,13H2,1H3.
What are the key properties of 5-(4-bromophenyl)sulfinylpentan-2-amine?
5-(4-bromophenyl)sulfinylpentan-2-amine has a molecular weight of 290.23 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)sulfinylpentan-2-amine is sourced from PubChem (CID 64653239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).