2-(3,4-dihydro-2H-thieno[2,3-b]pyran-6-yl)-1-methylpiperidin-4-amine

C13H20N2OS — CID 82382197

IUPAC2-(3,4-dihydro-2H-thieno[2,3-b]pyran-6-yl)-1-methylpiperidin-4-amine
SMILESCN1CCC(N)CC1c1cc2c(s1)OCCC2
InChIInChI=1S/C13H20N2OS/c1-15-5-4-10(14)8-11(15)12-7-9-3-2-6-16-13(9)17-12/h7,10-11H,2-6,8,14H2,1H3
InChIKeyOLYHBTNBRKWXSB-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.17
Rot. Bonds1

About 2-(3,4-dihydro-2H-thieno[2,3-b]pyran-6-yl)-1-methylpiperidin-4-amine

2-(3,4-dihydro-2H-thieno[2,3-b]pyran-6-yl)-1-methylpiperidin-4-amine (PubChem CID 82382197) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-thieno[2,3-b]pyran-6-yl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-thieno[2,3-b]pyran-6-yl)-1-methylpiperidin-4-amine
PubChem CID82382197
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-(3,4-dihydro-2H-thieno[2,3-b]pyran-6-yl)-1-methylpiperidin-4-amine
SMILESCN1CCC(N)CC1c1cc2c(s1)OCCC2
InChIInChI=1S/C13H20N2OS/c1-15-5-4-10(14)8-11(15)12-7-9-3-2-6-16-13(9)17-12/h7,10-11H,2-6,8,14H2,1H3
InChIKeyOLYHBTNBRKWXSB-UHFFFAOYSA-N
XLogP2.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dihydro-2H-thieno[2,3-b]pyran-6-yl)-1-methylpiperidin-4-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 2-(3,4-dihydro-2H-thieno[2,3-b]pyran-6-yl)-1-methylpiperidin-4-amine?
The IUPAC name of 2-(3,4-dihydro-2H-thieno[2,3-b]pyran-6-yl)-1-methylpiperidin-4-amine (CID 82382197) is 2-(3,4-dihydro-2H-thieno[2,3-b]pyran-6-yl)-1-methylpiperidin-4-amine.
What is the SMILES notation for 2-(3,4-dihydro-2H-thieno[2,3-b]pyran-6-yl)-1-methylpiperidin-4-amine?
The canonical SMILES for 2-(3,4-dihydro-2H-thieno[2,3-b]pyran-6-yl)-1-methylpiperidin-4-amine is CN1CCC(N)CC1c1cc2c(s1)OCCC2.
What is the InChIKey of 2-(3,4-dihydro-2H-thieno[2,3-b]pyran-6-yl)-1-methylpiperidin-4-amine?
The InChIKey is OLYHBTNBRKWXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-15-5-4-10(14)8-11(15)12-7-9-3-2-6-16-13(9)17-12/h7,10-11H,2-6,8,14H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-thieno[2,3-b]pyran-6-yl)-1-methylpiperidin-4-amine?
2-(3,4-dihydro-2H-thieno[2,3-b]pyran-6-yl)-1-methylpiperidin-4-amine has a molecular weight of 252.38 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-thieno[2,3-b]pyran-6-yl)-1-methylpiperidin-4-amine is sourced from PubChem (CID 82382197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).