(7S)-14-methyl-17-thia-3,9,15-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-2,8-dione

C14H13N3O2S — CID 26415405

IUPAC(7S)-14-methyl-17-thia-3,9,15-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-2,8-dione
SMILESCc1ccc2c3c(sc2n1)C(=O)N1CCC[C@H]1C(=O)N3
InChIInChI=1S/C14H13N3O2S/c1-7-4-5-8-10-11(20-13(8)15-7)14(19)17-6-2-3-9(17)12(18)16-10/h4-5,9H,2-3,6H2,1H3,(H,16,18)/t9-/m0/s1
InChIKeyUHZUUTPMVDLRIP-VIFPVBQESA-N
MW287.34 g/mol
LogP2.16
Rot. Bonds

About (7S)-14-methyl-17-thia-3,9,15-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-2,8-dione

(7S)-14-methyl-17-thia-3,9,15-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-2,8-dione (PubChem CID 26415405) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is (7S)-14-methyl-17-thia-3,9,15-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-2,8-dione.

Molecular Properties

Compound Name(7S)-14-methyl-17-thia-3,9,15-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-2,8-dione
PubChem CID26415405
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name(7S)-14-methyl-17-thia-3,9,15-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-2,8-dione
SMILESCc1ccc2c3c(sc2n1)C(=O)N1CCC[C@H]1C(=O)N3
InChIInChI=1S/C14H13N3O2S/c1-7-4-5-8-10-11(20-13(8)15-7)14(19)17-6-2-3-9(17)12(18)16-10/h4-5,9H,2-3,6H2,1H3,(H,16,18)/t9-/m0/s1
InChIKeyUHZUUTPMVDLRIP-VIFPVBQESA-N
XLogP2.16
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7S)-14-methyl-17-thia-3,9,15-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-2,8-dione with MolForge

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Related Compounds

6-methyl-12-thia-6,10,15,21-tetrazapentacyclo[11.8.0.02,11.04,9.015,19]henicosa-1(13),2(11),3,9-tetraene-14,20-dione
CID 71834939
(7S)-12-methyl-14-(trifluoromethyl)-17-thia-3,9,15-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-2,8-dione
CID 26433456
4-methyl-1,3,8-triazatricyclo[8.5.0.02,7]pentadeca-2(7),3,5-trien-9-one
CID 81136783
(7R)-12-amino-2,8-dioxo-14,16-dithia-3,9-diazatetracyclo[8.6.0.03,7.011,15]hexadeca-1(10),11(15),12-triene-13-carbonitrile
CID 57149708
(10S)-4-methyl-1,4,8-triazatricyclo[8.3.0.03,7]trideca-3(7),5-diene-2,9-dione
CID 11447312
1-methyl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione;propane
CID 143528648
6-methyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one
CID 114240010
2-chloro-4-methyl-5,6a,7,8,9,10-hexahydropyrido[2,1-h]pteridin-6-one
CID 114044663
3-methyl-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepine-6,12-dione
CID 165342590
(10R)-2,9-dioxo-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-4-thia-1,8-diazatricyclo[8.3.0.03,7]trideca-3(7),5-diene-6-carboxamide
CID 57149665
(10S)-5-iodo-9-sulfanylidene-6-thia-1,8-diazatricyclo[8.3.0.03,7]trideca-3(7),4-dien-2-one
CID 10090147
2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
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Frequently Asked Questions

What is the IUPAC name of (7S)-14-methyl-17-thia-3,9,15-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-2,8-dione?
The IUPAC name of (7S)-14-methyl-17-thia-3,9,15-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-2,8-dione (CID 26415405) is (7S)-14-methyl-17-thia-3,9,15-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-2,8-dione.
What is the SMILES notation for (7S)-14-methyl-17-thia-3,9,15-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-2,8-dione?
The canonical SMILES for (7S)-14-methyl-17-thia-3,9,15-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-2,8-dione is Cc1ccc2c3c(sc2n1)C(=O)N1CCC[C@H]1C(=O)N3.
What is the InChIKey of (7S)-14-methyl-17-thia-3,9,15-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-2,8-dione?
The InChIKey is UHZUUTPMVDLRIP-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-7-4-5-8-10-11(20-13(8)15-7)14(19)17-6-2-3-9(17)12(18)16-10/h4-5,9H,2-3,6H2,1H3,(H,16,18)/t9-/m0/s1.
What are the key properties of (7S)-14-methyl-17-thia-3,9,15-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-2,8-dione?
(7S)-14-methyl-17-thia-3,9,15-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-2,8-dione has a molecular weight of 287.34 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-14-methyl-17-thia-3,9,15-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-2,8-dione is sourced from PubChem (CID 26415405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).