2-(3-bromophenyl)sulfinylcyclopentan-1-amine

C11H14BrNOS — CID 64659560

IUPAC2-(3-bromophenyl)sulfinylcyclopentan-1-amine
SMILESNC1CCCC1S(=O)c1cccc(Br)c1
InChIInChI=1S/C11H14BrNOS/c12-8-3-1-4-9(7-8)15(14)11-6-2-5-10(11)13/h1,3-4,7,10-11H,2,5-6,13H2
InChIKeyNSJQVYKURWTJEX-UHFFFAOYSA-N
MW288.21 g/mol
LogP2.44
Rot. Bonds2

About 2-(3-bromophenyl)sulfinylcyclopentan-1-amine

2-(3-bromophenyl)sulfinylcyclopentan-1-amine (PubChem CID 64659560) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfinylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfinylcyclopentan-1-amine
PubChem CID64659560
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC Name2-(3-bromophenyl)sulfinylcyclopentan-1-amine
SMILESNC1CCCC1S(=O)c1cccc(Br)c1
InChIInChI=1S/C11H14BrNOS/c12-8-3-1-4-9(7-8)15(14)11-6-2-5-10(11)13/h1,3-4,7,10-11H,2,5-6,13H2
InChIKeyNSJQVYKURWTJEX-UHFFFAOYSA-N
XLogP2.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfinylcyclopentan-1-amine?
The IUPAC name of 2-(3-bromophenyl)sulfinylcyclopentan-1-amine (CID 64659560) is 2-(3-bromophenyl)sulfinylcyclopentan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)sulfinylcyclopentan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)sulfinylcyclopentan-1-amine is NC1CCCC1S(=O)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)sulfinylcyclopentan-1-amine?
The InChIKey is NSJQVYKURWTJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c12-8-3-1-4-9(7-8)15(14)11-6-2-5-10(11)13/h1,3-4,7,10-11H,2,5-6,13H2.
What are the key properties of 2-(3-bromophenyl)sulfinylcyclopentan-1-amine?
2-(3-bromophenyl)sulfinylcyclopentan-1-amine has a molecular weight of 288.21 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfinylcyclopentan-1-amine is sourced from PubChem (CID 64659560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).