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

C11H14BrNOS — CID 64653731

IUPAC2-(2-bromophenyl)sulfinylcyclopentan-1-amine
SMILESNC1CCCC1S(=O)c1ccccc1Br
InChIInChI=1S/C11H14BrNOS/c12-8-4-1-2-6-10(8)15(14)11-7-3-5-9(11)13/h1-2,4,6,9,11H,3,5,7,13H2
InChIKeyMJCVNKZLNYHHLU-UHFFFAOYSA-N
MW288.21 g/mol
LogP2.44
Rot. Bonds2

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

2-(2-bromophenyl)sulfinylcyclopentan-1-amine (PubChem CID 64653731) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfinylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfinylcyclopentan-1-amine
PubChem CID64653731
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC Name2-(2-bromophenyl)sulfinylcyclopentan-1-amine
SMILESNC1CCCC1S(=O)c1ccccc1Br
InChIInChI=1S/C11H14BrNOS/c12-8-4-1-2-6-10(8)15(14)11-7-3-5-9(11)13/h1-2,4,6,9,11H,3,5,7,13H2
InChIKeyMJCVNKZLNYHHLU-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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Related Compounds

3-(2-bromophenyl)sulfinyl-2-methylcyclopentan-1-amine
CID 64905718
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CID 64653464
2-(3-bromophenyl)sulfinylcyclopentan-1-amine
CID 64659560
2-benzylsulfinylcyclohexan-1-amine
CID 64660290
1-chloro-2-[(1R,2R)-2-(methoxymethyl)cyclopentyl]sulfinylbenzene
CID 11086921
3-(2-bromophenyl)sulfinyl-N-ethyloxan-4-amine
CID 64652646
2-(2-bromophenyl)sulfinyl-1-cyclohexylethanamine
CID 113449406
[2-(2-methylphenyl)sulfinylcycloheptyl]methanamine
CID 81328475
2-(4-methoxyphenyl)sulfinylcyclohexan-1-amine
CID 64658344
2-(2-bromophenyl)sulfinyl-4-ethyl-N-propylcyclohexan-1-amine
CID 64651402
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)cyclooctan-1-amine
CID 115479189
2-(3,4-dimethylphenyl)sulfinylcyclooctan-1-amine
CID 64657516

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfinylcyclopentan-1-amine?
The IUPAC name of 2-(2-bromophenyl)sulfinylcyclopentan-1-amine (CID 64653731) is 2-(2-bromophenyl)sulfinylcyclopentan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)sulfinylcyclopentan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)sulfinylcyclopentan-1-amine is NC1CCCC1S(=O)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)sulfinylcyclopentan-1-amine?
The InChIKey is MJCVNKZLNYHHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c12-8-4-1-2-6-10(8)15(14)11-7-3-5-9(11)13/h1-2,4,6,9,11H,3,5,7,13H2.
What are the key properties of 2-(2-bromophenyl)sulfinylcyclopentan-1-amine?
2-(2-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-(2-bromophenyl)sulfinylcyclopentan-1-amine is sourced from PubChem (CID 64653731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).