1-(5-bromothiophen-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine

C14H16BrNS2 — CID 66098427

IUPAC1-(5-bromothiophen-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
SMILESCc1ccccc1SCC(N)Cc1ccc(Br)s1
InChIInChI=1S/C14H16BrNS2/c1-10-4-2-3-5-13(10)17-9-11(16)8-12-6-7-14(15)18-12/h2-7,11H,8-9,16H2,1H3
InChIKeyKNFNNCWSFRARRB-UHFFFAOYSA-N
MW342.33 g/mol
LogP4.48
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine

1-(5-bromothiophen-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine (PubChem CID 66098427) has the molecular formula C14H16BrNS2 and a molecular weight of 342.33 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
PubChem CID66098427
Molecular FormulaC14H16BrNS2
Molecular Weight342.33 g/mol
Exact Mass340.99
IUPAC Name1-(5-bromothiophen-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
SMILESCc1ccccc1SCC(N)Cc1ccc(Br)s1
InChIInChI=1S/C14H16BrNS2/c1-10-4-2-3-5-13(10)17-9-11(16)8-12-6-7-14(15)18-12/h2-7,11H,8-9,16H2,1H3
InChIKeyKNFNNCWSFRARRB-UHFFFAOYSA-N
XLogP4.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66098425
1-(5-bromothiophen-2-yl)-4-(2-methylphenyl)butan-2-amine
CID 105134771
1-(5-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanylpropan-2-amine
CID 66143598
1-(5-bromothiophen-2-yl)butan-2-amine
CID 43565983
[1-(2-bromophenyl)sulfanyl-3-(5-bromothiophen-2-yl)propan-2-yl]hydrazine
CID 105238033
1-(1-benzothiophen-3-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66097364
1-(2-methylphenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine
CID 66099254
2-(5-bromothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanamine
CID 115841290
1-(5-chloro-2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 103048816
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66097361
1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-2-amine
CID 55095389
2-(5-bromothiophen-2-yl)-1-(4-methylphenyl)ethanamine
CID 62607190

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine (CID 66098427) is 1-(5-bromothiophen-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine is Cc1ccccc1SCC(N)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine?
The InChIKey is KNFNNCWSFRARRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS2/c1-10-4-2-3-5-13(10)17-9-11(16)8-12-6-7-14(15)18-12/h2-7,11H,8-9,16H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine?
1-(5-bromothiophen-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine has a molecular weight of 342.33 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 66098427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).