(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone

C14H20N2OS — CID 806194

IUPAC(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone
SMILESNc1sc2c(c1C(=O)N1CCCCC1)CCCC2
InChIInChI=1S/C14H20N2OS/c15-13-12(10-6-2-3-7-11(10)18-13)14(17)16-8-4-1-5-9-16/h1-9,15H2
InChIKeyNSQDUMFSCVOMPZ-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.84
Rot. Bonds1

About (2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone

(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone (PubChem CID 806194) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is (2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone
PubChem CID806194
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone
SMILESNc1sc2c(c1C(=O)N1CCCCC1)CCCC2
InChIInChI=1S/C14H20N2OS/c15-13-12(10-6-2-3-7-11(10)18-13)14(17)16-8-4-1-5-9-16/h1-9,15H2
InChIKeyNSQDUMFSCVOMPZ-UHFFFAOYSA-N
XLogP2.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone (CID 806194) is (2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone is Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2.
What is the InChIKey of (2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone?
The InChIKey is NSQDUMFSCVOMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c15-13-12(10-6-2-3-7-11(10)18-13)14(17)16-8-4-1-5-9-16/h1-9,15H2.
What are the key properties of (2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone?
(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone has a molecular weight of 264.39 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 806194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).