6-piperidin-1-ylsulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one

C16H20N2O3S — CID 7526373

IUPAC6-piperidin-1-ylsulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
SMILESO=C1CCc2cc(S(=O)(=O)N3CCCCC3)cc3c2N1CC3
InChIInChI=1S/C16H20N2O3S/c19-15-5-4-12-10-14(11-13-6-9-18(15)16(12)13)22(20,21)17-7-2-1-3-8-17/h10-11H,1-9H2
InChIKeyIOBPSVSCGGBXDA-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.70
Rot. Bonds2

About 6-piperidin-1-ylsulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one

6-piperidin-1-ylsulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one (PubChem CID 7526373) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 6-piperidin-1-ylsulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one.

Molecular Properties

Compound Name6-piperidin-1-ylsulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
PubChem CID7526373
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name6-piperidin-1-ylsulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
SMILESO=C1CCc2cc(S(=O)(=O)N3CCCCC3)cc3c2N1CC3
InChIInChI=1S/C16H20N2O3S/c19-15-5-4-12-10-14(11-13-6-9-18(15)16(12)13)22(20,21)17-7-2-1-3-8-17/h10-11H,1-9H2
InChIKeyIOBPSVSCGGBXDA-UHFFFAOYSA-N
XLogP1.70
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-piperidin-1-ylsulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one with MolForge

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Related Compounds

1-{5-[(2-methylpiperidin-1-yl)sulfonyl]-2,3-dihydro-1H-indol-1-yl}ethan-1-one
CID 3597234
1-(2-Methyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 3673453
N-butyl-4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide
CID 7526368
11-oxo-N-phenyl-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-triene-6-sulfonamide
CID 7526462
N-(2-cyanoethyl)-N-methyl-11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-triene-6-sulfonamide
CID 7526473
N-(2-methylpropyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
CID 7527121
6-(4-propylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 8518042
3-Methyl-6-(piperidine-1-sulfonyl)-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-2-one
CID 16803351
2-[(1-propionyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
CID 3245309
1-[4-(1,2,3,4-Tetrahydroquinolylsulfonyl)phenyl]pyrrolidin-2-one
CID 8822251
1-[4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one
CID 35972429
Indol-2-one, 1-methyl-5-(4-methylpiperazine-1-sulfonyl)-1,3-dihydro-
CID 1511401

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-ylsulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
The IUPAC name of 6-piperidin-1-ylsulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one (CID 7526373) is 6-piperidin-1-ylsulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one.
What is the SMILES notation for 6-piperidin-1-ylsulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
The canonical SMILES for 6-piperidin-1-ylsulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one is O=C1CCc2cc(S(=O)(=O)N3CCCCC3)cc3c2N1CC3.
What is the InChIKey of 6-piperidin-1-ylsulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
The InChIKey is IOBPSVSCGGBXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c19-15-5-4-12-10-14(11-13-6-9-18(15)16(12)13)22(20,21)17-7-2-1-3-8-17/h10-11H,1-9H2.
What are the key properties of 6-piperidin-1-ylsulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
6-piperidin-1-ylsulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one has a molecular weight of 320.41 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-ylsulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one is sourced from PubChem (CID 7526373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).