5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide

C14H14N2O3S — CID 175936449

IUPAC5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(C2=CCS(=O)(=O)CC2)cc2cc[nH]c12
InChIInChI=1S/C14H14N2O3S/c15-14(17)12-8-11(7-10-1-4-16-13(10)12)9-2-5-20(18,19)6-3-9/h1-2,4,7-8,16H,3,5-6H2,(H2,15,17)
InChIKeyZWVYXPDTLCRKLI-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.47
Rot. Bonds2

About 5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide

5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide (PubChem CID 175936449) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide.

Molecular Properties

Compound Name5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide
PubChem CID175936449
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(C2=CCS(=O)(=O)CC2)cc2cc[nH]c12
InChIInChI=1S/C14H14N2O3S/c15-14(17)12-8-11(7-10-1-4-16-13(10)12)9-2-5-20(18,19)6-3-9/h1-2,4,7-8,16H,3,5-6H2,(H2,15,17)
InChIKeyZWVYXPDTLCRKLI-UHFFFAOYSA-N
XLogP1.47
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide?
The IUPAC name of 5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide (CID 175936449) is 5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide.
What is the SMILES notation for 5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide?
The canonical SMILES for 5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide is NC(=O)c1cc(C2=CCS(=O)(=O)CC2)cc2cc[nH]c12.
What is the InChIKey of 5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide?
The InChIKey is ZWVYXPDTLCRKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c15-14(17)12-8-11(7-10-1-4-16-13(10)12)9-2-5-20(18,19)6-3-9/h1-2,4,7-8,16H,3,5-6H2,(H2,15,17).
What are the key properties of 5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide?
5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide is sourced from PubChem (CID 175936449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).