2-(4-bromo-5-methylthiophen-2-yl)-1-tert-butylpiperidin-3-amine

C14H23BrN2S — CID 102844737

IUPAC2-(4-bromo-5-methylthiophen-2-yl)-1-tert-butylpiperidin-3-amine
SMILESCc1sc(C2C(N)CCCN2C(C)(C)C)cc1Br
InChIInChI=1S/C14H23BrN2S/c1-9-10(15)8-12(18-9)13-11(16)6-5-7-17(13)14(2,3)4/h8,11,13H,5-7,16H2,1-4H3
InChIKeyYTJRZEAKWFLDSC-UHFFFAOYSA-N
MW331.32 g/mol
LogP4.08
Rot. Bonds1

About 2-(4-bromo-5-methylthiophen-2-yl)-1-tert-butylpiperidin-3-amine

2-(4-bromo-5-methylthiophen-2-yl)-1-tert-butylpiperidin-3-amine (PubChem CID 102844737) has the molecular formula C14H23BrN2S and a molecular weight of 331.32 g/mol. Its IUPAC name is 2-(4-bromo-5-methylthiophen-2-yl)-1-tert-butylpiperidin-3-amine.

Molecular Properties

Compound Name2-(4-bromo-5-methylthiophen-2-yl)-1-tert-butylpiperidin-3-amine
PubChem CID102844737
Molecular FormulaC14H23BrN2S
Molecular Weight331.32 g/mol
Exact Mass330.08
IUPAC Name2-(4-bromo-5-methylthiophen-2-yl)-1-tert-butylpiperidin-3-amine
SMILESCc1sc(C2C(N)CCCN2C(C)(C)C)cc1Br
InChIInChI=1S/C14H23BrN2S/c1-9-10(15)8-12(18-9)13-11(16)6-5-7-17(13)14(2,3)4/h8,11,13H,5-7,16H2,1-4H3
InChIKeyYTJRZEAKWFLDSC-UHFFFAOYSA-N
XLogP4.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-5-methylthiophen-2-yl)-1-tert-butylpiperidin-3-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

2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylazepan-3-amine
CID 102844765
[2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylpiperidin-3-yl]methanamine
CID 102844551
[2-(4-bromo-5-methylthiophen-2-yl)-1-propan-2-ylpiperidin-3-yl]methanamine
CID 102844546
2-(3-bromo-4-methylphenyl)-1-tert-butylazepan-3-amine
CID 105411556
2-(4-bromo-5-methylthiophen-2-yl)oxan-3-amine
CID 102845718
5-amino-6-(4-bromo-5-methylthiophen-2-yl)-1-propylpiperidin-2-one
CID 102844670
6-amino-1-tert-butyl-7-(4,5-dibromothiophen-2-yl)azepan-2-one
CID 102844711
3-bromo-5-cyclohexyl-2-methylthiophene
CID 102297438
[2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanamine
CID 102844835
1-tert-butyl-2-(3-chloro-4-fluorophenyl)piperidin-3-amine
CID 81159903
1-[2-(4-bromo-5-methylthiophen-2-yl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
CID 102844581
5-(4-bromo-5-methylthiophen-2-yl)imidazolidine-2,4-dione
CID 102838029

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-1-tert-butylpiperidin-3-amine?
The IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-1-tert-butylpiperidin-3-amine (CID 102844737) is 2-(4-bromo-5-methylthiophen-2-yl)-1-tert-butylpiperidin-3-amine.
What is the SMILES notation for 2-(4-bromo-5-methylthiophen-2-yl)-1-tert-butylpiperidin-3-amine?
The canonical SMILES for 2-(4-bromo-5-methylthiophen-2-yl)-1-tert-butylpiperidin-3-amine is Cc1sc(C2C(N)CCCN2C(C)(C)C)cc1Br.
What is the InChIKey of 2-(4-bromo-5-methylthiophen-2-yl)-1-tert-butylpiperidin-3-amine?
The InChIKey is YTJRZEAKWFLDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2S/c1-9-10(15)8-12(18-9)13-11(16)6-5-7-17(13)14(2,3)4/h8,11,13H,5-7,16H2,1-4H3.
What are the key properties of 2-(4-bromo-5-methylthiophen-2-yl)-1-tert-butylpiperidin-3-amine?
2-(4-bromo-5-methylthiophen-2-yl)-1-tert-butylpiperidin-3-amine has a molecular weight of 331.32 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylthiophen-2-yl)-1-tert-butylpiperidin-3-amine is sourced from PubChem (CID 102844737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).