3-(4-bromophenyl)sulfinylpentan-1-amine

C11H16BrNOS — CID 81329248

IUPAC3-(4-bromophenyl)sulfinylpentan-1-amine
SMILESCCC(CCN)S(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H16BrNOS/c1-2-10(7-8-13)15(14)11-5-3-9(12)4-6-11/h3-6,10H,2,7-8,13H2,1H3
InChIKeyBPTPXHJZKYDLEO-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.68
Rot. Bonds5

About 3-(4-bromophenyl)sulfinylpentan-1-amine

3-(4-bromophenyl)sulfinylpentan-1-amine (PubChem CID 81329248) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfinylpentan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfinylpentan-1-amine
PubChem CID81329248
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name3-(4-bromophenyl)sulfinylpentan-1-amine
SMILESCCC(CCN)S(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H16BrNOS/c1-2-10(7-8-13)15(14)11-5-3-9(12)4-6-11/h3-6,10H,2,7-8,13H2,1H3
InChIKeyBPTPXHJZKYDLEO-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfinylpentan-1-amine?
The IUPAC name of 3-(4-bromophenyl)sulfinylpentan-1-amine (CID 81329248) is 3-(4-bromophenyl)sulfinylpentan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)sulfinylpentan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)sulfinylpentan-1-amine is CCC(CCN)S(=O)c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)sulfinylpentan-1-amine?
The InChIKey is BPTPXHJZKYDLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-2-10(7-8-13)15(14)11-5-3-9(12)4-6-11/h3-6,10H,2,7-8,13H2,1H3.
What are the key properties of 3-(4-bromophenyl)sulfinylpentan-1-amine?
3-(4-bromophenyl)sulfinylpentan-1-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 3-(4-bromophenyl)sulfinylpentan-1-amine is sourced from PubChem (CID 81329248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).