1-(3,4-dihydro-2H-thiochromen-4-yl)piperidin-4-amine

C14H20N2S — CID 43130869

IUPAC1-(3,4-dihydro-2H-thiochromen-4-yl)piperidin-4-amine
SMILESNC1CCN(C2CCSc3ccccc32)CC1
InChIInChI=1S/C14H20N2S/c15-11-5-8-16(9-6-11)13-7-10-17-14-4-2-1-3-12(13)14/h1-4,11,13H,5-10,15H2
InChIKeyGWVFIOYHXIUNPF-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.65
Rot. Bonds1

About 1-(3,4-dihydro-2H-thiochromen-4-yl)piperidin-4-amine

1-(3,4-dihydro-2H-thiochromen-4-yl)piperidin-4-amine (PubChem CID 43130869) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-thiochromen-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-thiochromen-4-yl)piperidin-4-amine
PubChem CID43130869
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name1-(3,4-dihydro-2H-thiochromen-4-yl)piperidin-4-amine
SMILESNC1CCN(C2CCSc3ccccc32)CC1
InChIInChI=1S/C14H20N2S/c15-11-5-8-16(9-6-11)13-7-10-17-14-4-2-1-3-12(13)14/h1-4,11,13H,5-10,15H2
InChIKeyGWVFIOYHXIUNPF-UHFFFAOYSA-N
XLogP2.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-thiochromen-4-yl)piperidin-4-amine?
The IUPAC name of 1-(3,4-dihydro-2H-thiochromen-4-yl)piperidin-4-amine (CID 43130869) is 1-(3,4-dihydro-2H-thiochromen-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-thiochromen-4-yl)piperidin-4-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-thiochromen-4-yl)piperidin-4-amine is NC1CCN(C2CCSc3ccccc32)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-thiochromen-4-yl)piperidin-4-amine?
The InChIKey is GWVFIOYHXIUNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c15-11-5-8-16(9-6-11)13-7-10-17-14-4-2-1-3-12(13)14/h1-4,11,13H,5-10,15H2.
What are the key properties of 1-(3,4-dihydro-2H-thiochromen-4-yl)piperidin-4-amine?
1-(3,4-dihydro-2H-thiochromen-4-yl)piperidin-4-amine has a molecular weight of 248.39 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-thiochromen-4-yl)piperidin-4-amine is sourced from PubChem (CID 43130869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).