1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperidine-4-carboxamide

C14H18N2O2S2 — CID 71995320

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2SCCc3sccc32)CC1
InChIInChI=1S/C14H18N2O2S2/c15-13(17)9-1-5-16(6-2-9)14(18)12-10-3-7-19-11(10)4-8-20-12/h3,7,9,12H,1-2,4-6,8H2,(H2,15,17)
InChIKeyYCJAYLOTZBKKDA-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.80
Rot. Bonds2

About 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperidine-4-carboxamide

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperidine-4-carboxamide (PubChem CID 71995320) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperidine-4-carboxamide
PubChem CID71995320
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2SCCc3sccc32)CC1
InChIInChI=1S/C14H18N2O2S2/c15-13(17)9-1-5-16(6-2-9)14(18)12-10-3-7-19-11(10)4-8-20-12/h3,7,9,12H,1-2,4-6,8H2,(H2,15,17)
InChIKeyYCJAYLOTZBKKDA-UHFFFAOYSA-N
XLogP1.80
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperidine-4-carboxamide (CID 71995320) is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)C2SCCc3sccc32)CC1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is YCJAYLOTZBKKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c15-13(17)9-1-5-16(6-2-9)14(18)12-10-3-7-19-11(10)4-8-20-12/h3,7,9,12H,1-2,4-6,8H2,(H2,15,17).
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperidine-4-carboxamide?
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 71995320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).