[4-(1-aminoethyl)piperidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl)methanone

C15H22N2OS2 — CID 119520461

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl)methanone
SMILESCC(N)C1CCN(C(=O)C2SCCc3sccc32)CC1
InChIInChI=1S/C15H22N2OS2/c1-10(16)11-2-6-17(7-3-11)15(18)14-12-4-8-19-13(12)5-9-20-14/h4,8,10-11,14H,2-3,5-7,9,16H2,1H3
InChIKeyLXDJGYHSYCBMTK-UHFFFAOYSA-N
MW310.49 g/mol
LogP2.66
Rot. Bonds2

About [4-(1-aminoethyl)piperidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl)methanone

[4-(1-aminoethyl)piperidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl)methanone (PubChem CID 119520461) has the molecular formula C15H22N2OS2 and a molecular weight of 310.49 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl)methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl)methanone
PubChem CID119520461
Molecular FormulaC15H22N2OS2
Molecular Weight310.49 g/mol
Exact Mass310.12
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl)methanone
SMILESCC(N)C1CCN(C(=O)C2SCCc3sccc32)CC1
InChIInChI=1S/C15H22N2OS2/c1-10(16)11-2-6-17(7-3-11)15(18)14-12-4-8-19-13(12)5-9-20-14/h4,8,10-11,14H,2-3,5-7,9,16H2,1H3
InChIKeyLXDJGYHSYCBMTK-UHFFFAOYSA-N
XLogP2.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl)methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl)methanone (CID 119520461) is [4-(1-aminoethyl)piperidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl)methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl)methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl)methanone is CC(N)C1CCN(C(=O)C2SCCc3sccc32)CC1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl)methanone?
The InChIKey is LXDJGYHSYCBMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS2/c1-10(16)11-2-6-17(7-3-11)15(18)14-12-4-8-19-13(12)5-9-20-14/h4,8,10-11,14H,2-3,5-7,9,16H2,1H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl)methanone?
[4-(1-aminoethyl)piperidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl)methanone has a molecular weight of 310.49 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl)methanone is sourced from PubChem (CID 119520461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).