1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)butan-2-amine

C14H16BrNS2 — CID 63835546

IUPAC1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)butan-2-amine
SMILESCCC(N)Cc1ccc(Br)cc1Sc1cccs1
InChIInChI=1S/C14H16BrNS2/c1-2-12(16)8-10-5-6-11(15)9-13(10)18-14-4-3-7-17-14/h3-7,9,12H,2,8,16H2,1H3
InChIKeyOPBCVVGYRWTSGI-UHFFFAOYSA-N
MW342.33 g/mol
LogP4.94
Rot. Bonds5

About 1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)butan-2-amine

1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)butan-2-amine (PubChem CID 63835546) has the molecular formula C14H16BrNS2 and a molecular weight of 342.33 g/mol. Its IUPAC name is 1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)butan-2-amine
PubChem CID63835546
Molecular FormulaC14H16BrNS2
Molecular Weight342.33 g/mol
Exact Mass340.99
IUPAC Name1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)butan-2-amine
SMILESCCC(N)Cc1ccc(Br)cc1Sc1cccs1
InChIInChI=1S/C14H16BrNS2/c1-2-12(16)8-10-5-6-11(15)9-13(10)18-14-4-3-7-17-14/h3-7,9,12H,2,8,16H2,1H3
InChIKeyOPBCVVGYRWTSGI-UHFFFAOYSA-N
XLogP4.94
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 ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-thiophen-2-ylsulfanylaniline
CID 28602794
1-[4-bromo-2-(1-methyltetrazol-5-yl)sulfanylphenyl]butan-2-amine
CID 63819603
1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)ethanol
CID 82972633
1-[2-(4-bromophenyl)sulfanyl-4-chlorophenyl]butan-2-amine
CID 114866171
2-(2-aminobutyl)-5-bromo-N,N-diethylaniline
CID 63787244
1-[4-bromo-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]butan-2-amine
CID 63818099
2-(2-aminobutyl)-5-bromo-N-cyclopropyl-N-methylaniline
CID 55235438
1-[4-(4-bromophenyl)sulfanyl-2-methylphenyl]butan-2-amine
CID 63819825
1-[4-(3-bromophenyl)sulfanyl-2-methylphenyl]butan-2-amine
CID 63818846
1-[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]butan-2-amine
CID 63787411
2-(2-aminobutyl)-5-bromo-N-(4-fluorophenyl)-N-methylaniline
CID 63815629
1-(4-bromo-2-pyrazol-1-ylphenyl)butan-2-amine
CID 63815700

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)butan-2-amine?
The IUPAC name of 1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)butan-2-amine (CID 63835546) is 1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)butan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)butan-2-amine?
The canonical SMILES for 1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)butan-2-amine is CCC(N)Cc1ccc(Br)cc1Sc1cccs1.
What is the InChIKey of 1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)butan-2-amine?
The InChIKey is OPBCVVGYRWTSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS2/c1-2-12(16)8-10-5-6-11(15)9-13(10)18-14-4-3-7-17-14/h3-7,9,12H,2,8,16H2,1H3.
What are the key properties of 1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)butan-2-amine?
1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)butan-2-amine has a molecular weight of 342.33 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-thiophen-2-ylsulfanylphenyl)butan-2-amine is sourced from PubChem (CID 63835546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).