2-(3-bromophenyl)-5-methylsulfonylpentan-2-amine

C12H18BrNO2S — CID 63192343

IUPAC2-(3-bromophenyl)-5-methylsulfonylpentan-2-amine
SMILESCC(N)(CCCS(C)(=O)=O)c1cccc(Br)c1
InChIInChI=1S/C12H18BrNO2S/c1-12(14,7-4-8-17(2,15)16)10-5-3-6-11(13)9-10/h3,5-6,9H,4,7-8,14H2,1-2H3
InChIKeyNTZCKNLVFUEKIV-UHFFFAOYSA-N
MW320.25 g/mol
LogP2.45
Rot. Bonds5

About 2-(3-bromophenyl)-5-methylsulfonylpentan-2-amine

2-(3-bromophenyl)-5-methylsulfonylpentan-2-amine (PubChem CID 63192343) has the molecular formula C12H18BrNO2S and a molecular weight of 320.25 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5-methylsulfonylpentan-2-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-5-methylsulfonylpentan-2-amine
PubChem CID63192343
Molecular FormulaC12H18BrNO2S
Molecular Weight320.25 g/mol
Exact Mass319.02
IUPAC Name2-(3-bromophenyl)-5-methylsulfonylpentan-2-amine
SMILESCC(N)(CCCS(C)(=O)=O)c1cccc(Br)c1
InChIInChI=1S/C12H18BrNO2S/c1-12(14,7-4-8-17(2,15)16)10-5-3-6-11(13)9-10/h3,5-6,9H,4,7-8,14H2,1-2H3
InChIKeyNTZCKNLVFUEKIV-UHFFFAOYSA-N
XLogP2.45
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-4-(3-bromophenyl)pentan-1-ol
CID 116861781
2-(3-bromophenyl)-6-methylheptan-2-amine
CID 83158078
(2S)-2-amino-2-(3-bromophenyl)propan-1-ol
CID 66931490
2-(4-chlorophenyl)-5-methylsulfonylpentan-2-amine
CID 63192294
3-bromo-N-(3-methylsulfonylpropyl)aniline
CID 63190564
1-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)propan-2-amine
CID 63408364
2-(3-bromophenyl)-2-methylpropane-1-sulfonic acid
CID 115053064
1-amino-1-(3-bromophenyl)propan-1-ol
CID 141222959
3-amino-3-(3-bromophenyl)butanoic acid;2,2,2-trifluoroacetic acid
CID 129071634
2-(3-bromophenyl)-1-(5-bromothiophen-2-yl)propan-2-amine
CID 62622744
1-bromo-4-[1-chloro-2-(chloromethyl)-5-methylsulfonylpentan-2-yl]benzene
CID 79453506
2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine
CID 55096110

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5-methylsulfonylpentan-2-amine?
The IUPAC name of 2-(3-bromophenyl)-5-methylsulfonylpentan-2-amine (CID 63192343) is 2-(3-bromophenyl)-5-methylsulfonylpentan-2-amine.
What is the SMILES notation for 2-(3-bromophenyl)-5-methylsulfonylpentan-2-amine?
The canonical SMILES for 2-(3-bromophenyl)-5-methylsulfonylpentan-2-amine is CC(N)(CCCS(C)(=O)=O)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-5-methylsulfonylpentan-2-amine?
The InChIKey is NTZCKNLVFUEKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S/c1-12(14,7-4-8-17(2,15)16)10-5-3-6-11(13)9-10/h3,5-6,9H,4,7-8,14H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-5-methylsulfonylpentan-2-amine?
2-(3-bromophenyl)-5-methylsulfonylpentan-2-amine has a molecular weight of 320.25 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5-methylsulfonylpentan-2-amine is sourced from PubChem (CID 63192343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).