1-(4-bromothiophen-2-yl)-1-cyclopentylsulfanylbutan-2-amine

C13H20BrNS2 — CID 55176742

IUPAC1-(4-bromothiophen-2-yl)-1-cyclopentylsulfanylbutan-2-amine
SMILESCCC(N)C(SC1CCCC1)c1cc(Br)cs1
InChIInChI=1S/C13H20BrNS2/c1-2-11(15)13(12-7-9(14)8-16-12)17-10-5-3-4-6-10/h7-8,10-11,13H,2-6,15H2,1H3
InChIKeyOQSYQPADZOBJLY-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.96
Rot. Bonds5

About 1-(4-bromothiophen-2-yl)-1-cyclopentylsulfanylbutan-2-amine

1-(4-bromothiophen-2-yl)-1-cyclopentylsulfanylbutan-2-amine (PubChem CID 55176742) has the molecular formula C13H20BrNS2 and a molecular weight of 334.35 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-1-cyclopentylsulfanylbutan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-1-cyclopentylsulfanylbutan-2-amine
PubChem CID55176742
Molecular FormulaC13H20BrNS2
Molecular Weight334.35 g/mol
Exact Mass333.02
IUPAC Name1-(4-bromothiophen-2-yl)-1-cyclopentylsulfanylbutan-2-amine
SMILESCCC(N)C(SC1CCCC1)c1cc(Br)cs1
InChIInChI=1S/C13H20BrNS2/c1-2-11(15)13(12-7-9(14)8-16-12)17-10-5-3-4-6-10/h7-8,10-11,13H,2-6,15H2,1H3
InChIKeyOQSYQPADZOBJLY-UHFFFAOYSA-N
XLogP4.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-1-cyclopentylsulfanylbutan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-1-cyclopentylsulfanylbutan-2-amine (CID 55176742) is 1-(4-bromothiophen-2-yl)-1-cyclopentylsulfanylbutan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-1-cyclopentylsulfanylbutan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-1-cyclopentylsulfanylbutan-2-amine is CCC(N)C(SC1CCCC1)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-1-cyclopentylsulfanylbutan-2-amine?
The InChIKey is OQSYQPADZOBJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNS2/c1-2-11(15)13(12-7-9(14)8-16-12)17-10-5-3-4-6-10/h7-8,10-11,13H,2-6,15H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-1-cyclopentylsulfanylbutan-2-amine?
1-(4-bromothiophen-2-yl)-1-cyclopentylsulfanylbutan-2-amine has a molecular weight of 334.35 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-1-cyclopentylsulfanylbutan-2-amine is sourced from PubChem (CID 55176742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).