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

C14H16N2OS2 — CID 80709755

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)c2cc3c(s2)CCSC3)CC1
InChIInChI=1S/C14H16N2OS2/c15-8-10-1-4-16(5-2-10)14(17)13-7-11-9-18-6-3-12(11)19-13/h7,10H,1-6,9H2
InChIKeyKBAOHSZLGCWZOK-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.91
Rot. Bonds1

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

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl)piperidine-4-carbonitrile (PubChem CID 80709755) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl)piperidine-4-carbonitrile
PubChem CID80709755
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)c2cc3c(s2)CCSC3)CC1
InChIInChI=1S/C14H16N2OS2/c15-8-10-1-4-16(5-2-10)14(17)13-7-11-9-18-6-3-12(11)19-13/h7,10H,1-6,9H2
InChIKeyKBAOHSZLGCWZOK-UHFFFAOYSA-N
XLogP2.91
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
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-2-carbonyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl)piperidine-4-carbonitrile (CID 80709755) is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl)piperidine-4-carbonitrile is N#CC1CCN(C(=O)c2cc3c(s2)CCSC3)CC1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl)piperidine-4-carbonitrile?
The InChIKey is KBAOHSZLGCWZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS2/c15-8-10-1-4-16(5-2-10)14(17)13-7-11-9-18-6-3-12(11)19-13/h7,10H,1-6,9H2.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl)piperidine-4-carbonitrile?
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl)piperidine-4-carbonitrile has a molecular weight of 292.43 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 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-2-carbonyl)piperidine-4-carbonitrile is sourced from PubChem (CID 80709755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).