1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine

C13H20N2S — CID 62840248

IUPAC1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine
SMILESNC1CCCN(C2CCCc3sccc32)C1
InChIInChI=1S/C13H20N2S/c14-10-3-2-7-15(9-10)12-4-1-5-13-11(12)6-8-16-13/h6,8,10,12H,1-5,7,9,14H2
InChIKeyKJJMNERCAYTCTL-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.55
Rot. Bonds1

About 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine

1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine (PubChem CID 62840248) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine
PubChem CID62840248
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine
SMILESNC1CCCN(C2CCCc3sccc32)C1
InChIInChI=1S/C13H20N2S/c14-10-3-2-7-15(9-10)12-4-1-5-13-11(12)6-8-16-13/h6,8,10,12H,1-5,7,9,14H2
InChIKeyKJJMNERCAYTCTL-UHFFFAOYSA-N
XLogP2.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-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

Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine?
The IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine (CID 62840248) is 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine.
What is the SMILES notation for 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine?
The canonical SMILES for 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine is NC1CCCN(C2CCCc3sccc32)C1.
What is the InChIKey of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine?
The InChIKey is KJJMNERCAYTCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c14-10-3-2-7-15(9-10)12-4-1-5-13-11(12)6-8-16-13/h6,8,10,12H,1-5,7,9,14H2.
What are the key properties of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine?
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine has a molecular weight of 236.38 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine is sourced from PubChem (CID 62840248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).