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

C11H14BrNS — CID 64724484

IUPAC3-(2-bromophenyl)sulfanylcyclopentan-1-amine
SMILESNC1CCC(Sc2ccccc2Br)C1
InChIInChI=1S/C11H14BrNS/c12-10-3-1-2-4-11(10)14-9-6-5-8(13)7-9/h1-4,8-9H,5-7,13H2
InChIKeyODUQKLFVOKSUMW-UHFFFAOYSA-N
MW272.21 g/mol
LogP3.42
Rot. Bonds2

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

3-(2-bromophenyl)sulfanylcyclopentan-1-amine (PubChem CID 64724484) has the molecular formula C11H14BrNS and a molecular weight of 272.21 g/mol. Its IUPAC name is 3-(2-bromophenyl)sulfanylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)sulfanylcyclopentan-1-amine
PubChem CID64724484
Molecular FormulaC11H14BrNS
Molecular Weight272.21 g/mol
Exact Mass271.00
IUPAC Name3-(2-bromophenyl)sulfanylcyclopentan-1-amine
SMILESNC1CCC(Sc2ccccc2Br)C1
InChIInChI=1S/C11H14BrNS/c12-10-3-1-2-4-11(10)14-9-6-5-8(13)7-9/h1-4,8-9H,5-7,13H2
InChIKeyODUQKLFVOKSUMW-UHFFFAOYSA-N
XLogP3.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)sulfanylcyclopentan-1-amine?
The IUPAC name of 3-(2-bromophenyl)sulfanylcyclopentan-1-amine (CID 64724484) is 3-(2-bromophenyl)sulfanylcyclopentan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)sulfanylcyclopentan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)sulfanylcyclopentan-1-amine is NC1CCC(Sc2ccccc2Br)C1.
What is the InChIKey of 3-(2-bromophenyl)sulfanylcyclopentan-1-amine?
The InChIKey is ODUQKLFVOKSUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNS/c12-10-3-1-2-4-11(10)14-9-6-5-8(13)7-9/h1-4,8-9H,5-7,13H2.
What are the key properties of 3-(2-bromophenyl)sulfanylcyclopentan-1-amine?
3-(2-bromophenyl)sulfanylcyclopentan-1-amine has a molecular weight of 272.21 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)sulfanylcyclopentan-1-amine is sourced from PubChem (CID 64724484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).