(3S)-17-thia-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene-2,8-dione

C15H13NO2S — CID 10707261

IUPAC(3S)-17-thia-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene-2,8-dione
SMILESO=C1c2sc3ccccc3c2CC(=O)N2CCC[C@@H]12
InChIInChI=1S/C15H13NO2S/c17-13-8-10-9-4-1-2-6-12(9)19-15(10)14(18)11-5-3-7-16(11)13/h1-2,4,6,11H,3,5,7-8H2/t11-/m0/s1
InChIKeyDDHLPIBOZPNAPH-NSHDSACASA-N
MW271.34 g/mol
LogP2.63
Rot. Bonds

About (3S)-17-thia-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene-2,8-dione

(3S)-17-thia-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene-2,8-dione (PubChem CID 10707261) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is (3S)-17-thia-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene-2,8-dione.

Molecular Properties

Compound Name(3S)-17-thia-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene-2,8-dione
PubChem CID10707261
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name(3S)-17-thia-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene-2,8-dione
SMILESO=C1c2sc3ccccc3c2CC(=O)N2CCC[C@@H]12
InChIInChI=1S/C15H13NO2S/c17-13-8-10-9-4-1-2-6-12(9)19-15(10)14(18)11-5-3-7-16(11)13/h1-2,4,6,11H,3,5,7-8H2/t11-/m0/s1
InChIKeyDDHLPIBOZPNAPH-NSHDSACASA-N
XLogP2.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-17-thia-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene-2,8-dione with MolForge

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

Launch Full Analysis

Related Compounds

(6aS)-6a,7,8,9,10,12-hexahydro-[1]benzothiolo[2,3-b]quinolizin-6-one
CID 7720823
(1E)-1-benzylidene-5,6,7,8-tetrahydropyrrolizin-3-one
CID 12032725
(3aS)-3,3a,4,10-tetrahydro-2H-[1]benzothiolo[2,3-f]indolizin-1-one
CID 101464495
(3aS)-1,2,3,3a,4,10-hexahydro-[1]benzothiolo[2,3-f]indolizine
CID 101464496
2-phenyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944954
11-[(2-ethyl-1-benzothiophen-3-yl)methyl]-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-2,8-dione
CID 166590393
(4S)-1,2,3,4-tetrahydrodibenzothiophen-4-amine
CID 81453544
2-(2-methylpiperidin-1-yl)-1,3-benzothiazin-4-one
CID 25230888
(4S,7S,14S,17S)-4,14-diphenyl-1,5,11,15-tetrazatricyclo[15.3.0.07,11]icosane-2,6,12,16-tetrone
CID 163071626
1-(3-oxo-1,2-dihydroinden-1-yl)pyrrolidin-2-one
CID 11252890
1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione
CID 3702529
10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),3(11),4,6,8,14,16,18-octaene-2,12-dione
CID 10615659

Frequently Asked Questions

What is the IUPAC name of (3S)-17-thia-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene-2,8-dione?
The IUPAC name of (3S)-17-thia-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene-2,8-dione (CID 10707261) is (3S)-17-thia-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene-2,8-dione.
What is the SMILES notation for (3S)-17-thia-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene-2,8-dione?
The canonical SMILES for (3S)-17-thia-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene-2,8-dione is O=C1c2sc3ccccc3c2CC(=O)N2CCC[C@@H]12.
What is the InChIKey of (3S)-17-thia-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene-2,8-dione?
The InChIKey is DDHLPIBOZPNAPH-NSHDSACASA-N. The full InChI is InChI=1S/C15H13NO2S/c17-13-8-10-9-4-1-2-6-12(9)19-15(10)14(18)11-5-3-7-16(11)13/h1-2,4,6,11H,3,5,7-8H2/t11-/m0/s1.
What are the key properties of (3S)-17-thia-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene-2,8-dione?
(3S)-17-thia-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene-2,8-dione has a molecular weight of 271.34 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-17-thia-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene-2,8-dione is sourced from PubChem (CID 10707261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).