(15S)-15-methyl-5-sulfanylidene-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,8,12(18)-pentaen-13-one

C15H13N3OS2 — CID 149129878

IUPAC(15S)-15-methyl-5-sulfanylidene-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,8,12(18)-pentaen-13-one
SMILESC[C@H]1CNc2c(sc3ccc4[nH]c(=S)ccc4c23)C(=O)N1
InChIInChI=1S/C15H13N3OS2/c1-7-6-16-13-12-8-2-5-11(20)18-9(8)3-4-10(12)21-14(13)15(19)17-7/h2-5,7,16H,6H2,1H3,(H,17,19)(H,18,20)/t7-/m0/s1
InChIKeyRCEJCVWZLAYPLW-ZETCQYMHSA-N
MW315.42 g/mol
LogP3.66
Rot. Bonds

About (15S)-15-methyl-5-sulfanylidene-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,8,12(18)-pentaen-13-one

(15S)-15-methyl-5-sulfanylidene-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,8,12(18)-pentaen-13-one (PubChem CID 149129878) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (15S)-15-methyl-5-sulfanylidene-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,8,12(18)-pentaen-13-one.

Molecular Properties

Compound Name(15S)-15-methyl-5-sulfanylidene-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,8,12(18)-pentaen-13-one
PubChem CID149129878
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC Name(15S)-15-methyl-5-sulfanylidene-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,8,12(18)-pentaen-13-one
SMILESC[C@H]1CNc2c(sc3ccc4[nH]c(=S)ccc4c23)C(=O)N1
InChIInChI=1S/C15H13N3OS2/c1-7-6-16-13-12-8-2-5-11(20)18-9(8)3-4-10(12)21-14(13)15(19)17-7/h2-5,7,16H,6H2,1H3,(H,17,19)(H,18,20)/t7-/m0/s1
InChIKeyRCEJCVWZLAYPLW-ZETCQYMHSA-N
XLogP3.66
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (15S)-15-methyl-5-sulfanylidene-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,8,12(18)-pentaen-13-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (15S)-15-methyl-5-sulfanylidene-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,8,12(18)-pentaen-13-one?
The IUPAC name of (15S)-15-methyl-5-sulfanylidene-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,8,12(18)-pentaen-13-one (CID 149129878) is (15S)-15-methyl-5-sulfanylidene-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,8,12(18)-pentaen-13-one.
What is the SMILES notation for (15S)-15-methyl-5-sulfanylidene-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,8,12(18)-pentaen-13-one?
The canonical SMILES for (15S)-15-methyl-5-sulfanylidene-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,8,12(18)-pentaen-13-one is C[C@H]1CNc2c(sc3ccc4[nH]c(=S)ccc4c23)C(=O)N1.
What is the InChIKey of (15S)-15-methyl-5-sulfanylidene-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,8,12(18)-pentaen-13-one?
The InChIKey is RCEJCVWZLAYPLW-ZETCQYMHSA-N. The full InChI is InChI=1S/C15H13N3OS2/c1-7-6-16-13-12-8-2-5-11(20)18-9(8)3-4-10(12)21-14(13)15(19)17-7/h2-5,7,16H,6H2,1H3,(H,17,19)(H,18,20)/t7-/m0/s1.
What are the key properties of (15S)-15-methyl-5-sulfanylidene-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,8,12(18)-pentaen-13-one?
(15S)-15-methyl-5-sulfanylidene-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,8,12(18)-pentaen-13-one has a molecular weight of 315.42 g/mol, XLogP of 3.66, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (15S)-15-methyl-5-sulfanylidene-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,8,12(18)-pentaen-13-one is sourced from PubChem (CID 149129878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).