1-(5-bromothiophen-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine

C17H27BrN2S — CID 43431976

IUPAC1-(5-bromothiophen-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine
SMILESBrc1cc(CNCC2(N3CCCCC3)CCCCC2)cs1
InChIInChI=1S/C17H27BrN2S/c18-16-11-15(13-21-16)12-19-14-17(7-3-1-4-8-17)20-9-5-2-6-10-20/h11,13,19H,1-10,12,14H2
InChIKeyNCPOWEUXYASQPM-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.79
Rot. Bonds5

About 1-(5-bromothiophen-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine

1-(5-bromothiophen-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine (PubChem CID 43431976) has the molecular formula C17H27BrN2S and a molecular weight of 371.39 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine
PubChem CID43431976
Molecular FormulaC17H27BrN2S
Molecular Weight371.39 g/mol
Exact Mass370.11
IUPAC Name1-(5-bromothiophen-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine
SMILESBrc1cc(CNCC2(N3CCCCC3)CCCCC2)cs1
InChIInChI=1S/C17H27BrN2S/c18-16-11-15(13-21-16)12-19-14-17(7-3-1-4-8-17)20-9-5-2-6-10-20/h11,13,19H,1-10,12,14H2
InChIKeyNCPOWEUXYASQPM-UHFFFAOYSA-N
XLogP4.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromothiophen-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine (CID 43431976) is 1-(5-bromothiophen-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine is Brc1cc(CNCC2(N3CCCCC3)CCCCC2)cs1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine?
The InChIKey is NCPOWEUXYASQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2S/c18-16-11-15(13-21-16)12-19-14-17(7-3-1-4-8-17)20-9-5-2-6-10-20/h11,13,19H,1-10,12,14H2.
What are the key properties of 1-(5-bromothiophen-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine?
1-(5-bromothiophen-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine has a molecular weight of 371.39 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine is sourced from PubChem (CID 43431976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).