(10R)-10-methyl-4-thia-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraene-6,8-dione

C17H17NO2S — CID 7304017

IUPAC(10R)-10-methyl-4-thia-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraene-6,8-dione
SMILESC[C@]12CC(=O)C3=C(CSCC3=O)N1CCc1ccccc12
InChIInChI=1S/C17H17NO2S/c1-17-8-14(19)16-13(9-21-10-15(16)20)18(17)7-6-11-4-2-3-5-12(11)17/h2-5H,6-10H2,1H3/t17-/m1/s1
InChIKeyMREYRTWMEALSJJ-QGZVFWFLSA-N
MW299.40 g/mol
LogP2.30
Rot. Bonds

About (10R)-10-methyl-4-thia-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraene-6,8-dione

(10R)-10-methyl-4-thia-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraene-6,8-dione (PubChem CID 7304017) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is (10R)-10-methyl-4-thia-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraene-6,8-dione.

Molecular Properties

Compound Name(10R)-10-methyl-4-thia-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraene-6,8-dione
PubChem CID7304017
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name(10R)-10-methyl-4-thia-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraene-6,8-dione
SMILESC[C@]12CC(=O)C3=C(CSCC3=O)N1CCc1ccccc12
InChIInChI=1S/C17H17NO2S/c1-17-8-14(19)16-13(9-21-10-15(16)20)18(17)7-6-11-4-2-3-5-12(11)17/h2-5H,6-10H2,1H3/t17-/m1/s1
InChIKeyMREYRTWMEALSJJ-QGZVFWFLSA-N
XLogP2.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze (10R)-10-methyl-4-thia-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraene-6,8-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10R)-10-methyl-4-thia-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraene-6,8-dione?
The IUPAC name of (10R)-10-methyl-4-thia-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraene-6,8-dione (CID 7304017) is (10R)-10-methyl-4-thia-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraene-6,8-dione.
What is the SMILES notation for (10R)-10-methyl-4-thia-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraene-6,8-dione?
The canonical SMILES for (10R)-10-methyl-4-thia-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraene-6,8-dione is C[C@]12CC(=O)C3=C(CSCC3=O)N1CCc1ccccc12.
What is the InChIKey of (10R)-10-methyl-4-thia-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraene-6,8-dione?
The InChIKey is MREYRTWMEALSJJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-17-8-14(19)16-13(9-21-10-15(16)20)18(17)7-6-11-4-2-3-5-12(11)17/h2-5H,6-10H2,1H3/t17-/m1/s1.
What are the key properties of (10R)-10-methyl-4-thia-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraene-6,8-dione?
(10R)-10-methyl-4-thia-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraene-6,8-dione has a molecular weight of 299.40 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-methyl-4-thia-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraene-6,8-dione is sourced from PubChem (CID 7304017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).