N-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-7-yl)acetamide

C12H10N2O3S — CID 12034659

IUPACN-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-7-yl)acetamide
SMILESCC(=O)Nc1ccc2c3c(cccc13)S(=O)(=O)N2
InChIInChI=1S/C12H10N2O3S/c1-7(15)13-9-5-6-10-12-8(9)3-2-4-11(12)18(16,17)14-10/h2-6,14H,1H3,(H,13,15)
InChIKeyAORFYPDMEMDJHU-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.91
Rot. Bonds1

About N-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-7-yl)acetamide

N-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-7-yl)acetamide (PubChem CID 12034659) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is N-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-7-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-7-yl)acetamide
PubChem CID12034659
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC NameN-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-7-yl)acetamide
SMILESCC(=O)Nc1ccc2c3c(cccc13)S(=O)(=O)N2
InChIInChI=1S/C12H10N2O3S/c1-7(15)13-9-5-6-10-12-8(9)3-2-4-11(12)18(16,17)14-10/h2-6,14H,1H3,(H,13,15)
InChIKeyAORFYPDMEMDJHU-UHFFFAOYSA-N
XLogP1.91
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-7-yl)acetamide?
The IUPAC name of N-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-7-yl)acetamide (CID 12034659) is N-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-7-yl)acetamide.
What is the SMILES notation for N-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-7-yl)acetamide?
The canonical SMILES for N-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-7-yl)acetamide is CC(=O)Nc1ccc2c3c(cccc13)S(=O)(=O)N2.
What is the InChIKey of N-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-7-yl)acetamide?
The InChIKey is AORFYPDMEMDJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-7(15)13-9-5-6-10-12-8(9)3-2-4-11(12)18(16,17)14-10/h2-6,14H,1H3,(H,13,15).
What are the key properties of N-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-7-yl)acetamide?
N-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-7-yl)acetamide has a molecular weight of 262.29 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-7-yl)acetamide is sourced from PubChem (CID 12034659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).