5-(4-bromophenyl)sulfinylpentan-1-amine

C11H16BrNOS — CID 81328453

IUPAC5-(4-bromophenyl)sulfinylpentan-1-amine
SMILESNCCCCCS(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H16BrNOS/c12-10-4-6-11(7-5-10)15(14)9-3-1-2-8-13/h4-7H,1-3,8-9,13H2
InChIKeyQYWNQABZJYMYGZ-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.69
Rot. Bonds6

About 5-(4-bromophenyl)sulfinylpentan-1-amine

5-(4-bromophenyl)sulfinylpentan-1-amine (PubChem CID 81328453) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 5-(4-bromophenyl)sulfinylpentan-1-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)sulfinylpentan-1-amine
PubChem CID81328453
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name5-(4-bromophenyl)sulfinylpentan-1-amine
SMILESNCCCCCS(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H16BrNOS/c12-10-4-6-11(7-5-10)15(14)9-3-1-2-8-13/h4-7H,1-3,8-9,13H2
InChIKeyQYWNQABZJYMYGZ-UHFFFAOYSA-N
XLogP2.69
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)sulfinylpentan-1-amine?
The IUPAC name of 5-(4-bromophenyl)sulfinylpentan-1-amine (CID 81328453) is 5-(4-bromophenyl)sulfinylpentan-1-amine.
What is the SMILES notation for 5-(4-bromophenyl)sulfinylpentan-1-amine?
The canonical SMILES for 5-(4-bromophenyl)sulfinylpentan-1-amine is NCCCCCS(=O)c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)sulfinylpentan-1-amine?
The InChIKey is QYWNQABZJYMYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c12-10-4-6-11(7-5-10)15(14)9-3-1-2-8-13/h4-7H,1-3,8-9,13H2.
What are the key properties of 5-(4-bromophenyl)sulfinylpentan-1-amine?
5-(4-bromophenyl)sulfinylpentan-1-amine has a molecular weight of 290.23 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)sulfinylpentan-1-amine is sourced from PubChem (CID 81328453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).