8-methyl-6-thia-1-azatetracyclo[8.7.0.03,7.011,16]heptadeca-3(7),4,9,11,13,15-hexaen-17-one

C16H13NOS — CID 10825744

IUPAC8-methyl-6-thia-1-azatetracyclo[8.7.0.03,7.011,16]heptadeca-3(7),4,9,11,13,15-hexaen-17-one
SMILESCC1C=C2c3ccccc3C(=O)N2Cc2ccsc21
InChIInChI=1S/C16H13NOS/c1-10-8-14-12-4-2-3-5-13(12)16(18)17(14)9-11-6-7-19-15(10)11/h2-8,10H,9H2,1H3
InChIKeyDASQQFGOHRNYNC-UHFFFAOYSA-N
MW267.35 g/mol
LogP3.86
Rot. Bonds

About 8-methyl-6-thia-1-azatetracyclo[8.7.0.03,7.011,16]heptadeca-3(7),4,9,11,13,15-hexaen-17-one

8-methyl-6-thia-1-azatetracyclo[8.7.0.03,7.011,16]heptadeca-3(7),4,9,11,13,15-hexaen-17-one (PubChem CID 10825744) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is 8-methyl-6-thia-1-azatetracyclo[8.7.0.03,7.011,16]heptadeca-3(7),4,9,11,13,15-hexaen-17-one.

Molecular Properties

Compound Name8-methyl-6-thia-1-azatetracyclo[8.7.0.03,7.011,16]heptadeca-3(7),4,9,11,13,15-hexaen-17-one
PubChem CID10825744
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name8-methyl-6-thia-1-azatetracyclo[8.7.0.03,7.011,16]heptadeca-3(7),4,9,11,13,15-hexaen-17-one
SMILESCC1C=C2c3ccccc3C(=O)N2Cc2ccsc21
InChIInChI=1S/C16H13NOS/c1-10-8-14-12-4-2-3-5-13(12)16(18)17(14)9-11-6-7-19-15(10)11/h2-8,10H,9H2,1H3
InChIKeyDASQQFGOHRNYNC-UHFFFAOYSA-N
XLogP3.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-methyl-6-thia-1-azatetracyclo[8.7.0.03,7.011,16]heptadeca-3(7),4,9,11,13,15-hexaen-17-one with MolForge

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Related Compounds

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2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione
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2-chloro-1,3-thiazole;2-methylisoindole-1,3-dione
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3-methyl-2-(3-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
CID 47117586
2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)-3H-isoindol-1-one
CID 162038576
9-thia-2,14-diazapentacyclo[12.7.0.02,6.08,12.016,21]henicosa-3,5,8(12),10,16,18,20-heptaene-7,15-dione
CID 10829510
(3S)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline
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2-bromo-3H-isoindol-1-one
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2-(3-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-thia-1-azatetracyclo[8.7.0.03,7.011,16]heptadeca-3(7),4,9,11,13,15-hexaen-17-one?
The IUPAC name of 8-methyl-6-thia-1-azatetracyclo[8.7.0.03,7.011,16]heptadeca-3(7),4,9,11,13,15-hexaen-17-one (CID 10825744) is 8-methyl-6-thia-1-azatetracyclo[8.7.0.03,7.011,16]heptadeca-3(7),4,9,11,13,15-hexaen-17-one.
What is the SMILES notation for 8-methyl-6-thia-1-azatetracyclo[8.7.0.03,7.011,16]heptadeca-3(7),4,9,11,13,15-hexaen-17-one?
The canonical SMILES for 8-methyl-6-thia-1-azatetracyclo[8.7.0.03,7.011,16]heptadeca-3(7),4,9,11,13,15-hexaen-17-one is CC1C=C2c3ccccc3C(=O)N2Cc2ccsc21.
What is the InChIKey of 8-methyl-6-thia-1-azatetracyclo[8.7.0.03,7.011,16]heptadeca-3(7),4,9,11,13,15-hexaen-17-one?
The InChIKey is DASQQFGOHRNYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c1-10-8-14-12-4-2-3-5-13(12)16(18)17(14)9-11-6-7-19-15(10)11/h2-8,10H,9H2,1H3.
What are the key properties of 8-methyl-6-thia-1-azatetracyclo[8.7.0.03,7.011,16]heptadeca-3(7),4,9,11,13,15-hexaen-17-one?
8-methyl-6-thia-1-azatetracyclo[8.7.0.03,7.011,16]heptadeca-3(7),4,9,11,13,15-hexaen-17-one has a molecular weight of 267.35 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-thia-1-azatetracyclo[8.7.0.03,7.011,16]heptadeca-3(7),4,9,11,13,15-hexaen-17-one is sourced from PubChem (CID 10825744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).