methane;9-oxo-9λ4-thia-1,11,18-triazatetracyclo[8.6.2.02,8.013,17]octadeca-10,12,14,17-tetraen-16-one

C15H19N3O2S — CID 69377142

IUPACmethane;9-oxo-9λ4-thia-1,11,18-triazatetracyclo[8.6.2.02,8.013,17]octadeca-10,12,14,17-tetraen-16-one
SMILESC.O=c1ccc2cnc3nc2n1C1CCCCCC1S3=O
InChIInChI=1S/C14H15N3O2S.CH4/c18-12-7-6-9-8-15-14-16-13(9)17(12)10-4-2-1-3-5-11(10)20(14)19;/h6-8,10-11H,1-5H2;1H4
InChIKeyWJGXRMVPESBBBM-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.42
Rot. Bonds

About methane;9-oxo-9λ4-thia-1,11,18-triazatetracyclo[8.6.2.02,8.013,17]octadeca-10,12,14,17-tetraen-16-one

methane;9-oxo-9λ4-thia-1,11,18-triazatetracyclo[8.6.2.02,8.013,17]octadeca-10,12,14,17-tetraen-16-one (PubChem CID 69377142) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is methane;9-oxo-9λ4-thia-1,11,18-triazatetracyclo[8.6.2.02,8.013,17]octadeca-10,12,14,17-tetraen-16-one.

Molecular Properties

Compound Namemethane;9-oxo-9λ4-thia-1,11,18-triazatetracyclo[8.6.2.02,8.013,17]octadeca-10,12,14,17-tetraen-16-one
PubChem CID69377142
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Namemethane;9-oxo-9λ4-thia-1,11,18-triazatetracyclo[8.6.2.02,8.013,17]octadeca-10,12,14,17-tetraen-16-one
SMILESC.O=c1ccc2cnc3nc2n1C1CCCCCC1S3=O
InChIInChI=1S/C14H15N3O2S.CH4/c18-12-7-6-9-8-15-14-16-13(9)17(12)10-4-2-1-3-5-11(10)20(14)19;/h6-8,10-11H,1-5H2;1H4
InChIKeyWJGXRMVPESBBBM-UHFFFAOYSA-N
XLogP2.42
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methane;9-oxo-9λ4-thia-1,11,18-triazatetracyclo[8.6.2.02,8.013,17]octadeca-10,12,14,17-tetraen-16-one with MolForge

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Related Compounds

8-cyclohexyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
CID 10661257
8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
CID 18375181
8-cyclopentyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
CID 10826395
8-cyclohexyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 146673939
12-methyl-7-oxo-13-(2-oxoazetidin-1-yl)-7λ4-thia-1,9,16-triazatetracyclo[6.6.2.02,6.011,15]hexadeca-8,10,12,15-tetraen-14-one
CID 175057647
2-cyclopentyl-9-oxo-6-oxa-9λ4-thia-2,11,14-triazatricyclo[8.3.1.14,13]pentadeca-1(14),4(15),10,12-tetraen-3-one;methane
CID 69205923
8-(2-methylcyclohexyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375231
4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonyl chloride
CID 164557559
2-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one
CID 175812147
8-cyclohexyl-2-(3-piperidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
CID 18375238
8-cyclopentyl-2-[[1-(oxetan-3-ylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 166903959
[8-[(2R)-2-hydroxy-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]-oxosulfanium
CID 174149472

Frequently Asked Questions

What is the IUPAC name of methane;9-oxo-9λ4-thia-1,11,18-triazatetracyclo[8.6.2.02,8.013,17]octadeca-10,12,14,17-tetraen-16-one?
The IUPAC name of methane;9-oxo-9λ4-thia-1,11,18-triazatetracyclo[8.6.2.02,8.013,17]octadeca-10,12,14,17-tetraen-16-one (CID 69377142) is methane;9-oxo-9λ4-thia-1,11,18-triazatetracyclo[8.6.2.02,8.013,17]octadeca-10,12,14,17-tetraen-16-one.
What is the SMILES notation for methane;9-oxo-9λ4-thia-1,11,18-triazatetracyclo[8.6.2.02,8.013,17]octadeca-10,12,14,17-tetraen-16-one?
The canonical SMILES for methane;9-oxo-9λ4-thia-1,11,18-triazatetracyclo[8.6.2.02,8.013,17]octadeca-10,12,14,17-tetraen-16-one is C.O=c1ccc2cnc3nc2n1C1CCCCCC1S3=O.
What is the InChIKey of methane;9-oxo-9λ4-thia-1,11,18-triazatetracyclo[8.6.2.02,8.013,17]octadeca-10,12,14,17-tetraen-16-one?
The InChIKey is WJGXRMVPESBBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S.CH4/c18-12-7-6-9-8-15-14-16-13(9)17(12)10-4-2-1-3-5-11(10)20(14)19;/h6-8,10-11H,1-5H2;1H4.
What are the key properties of methane;9-oxo-9λ4-thia-1,11,18-triazatetracyclo[8.6.2.02,8.013,17]octadeca-10,12,14,17-tetraen-16-one?
methane;9-oxo-9λ4-thia-1,11,18-triazatetracyclo[8.6.2.02,8.013,17]octadeca-10,12,14,17-tetraen-16-one has a molecular weight of 305.40 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;9-oxo-9λ4-thia-1,11,18-triazatetracyclo[8.6.2.02,8.013,17]octadeca-10,12,14,17-tetraen-16-one is sourced from PubChem (CID 69377142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).