9,14-dimethyl-3,10,13-trithia-5-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,14-hexaene;ethane

C15H15NS3 — CID 144537701

IUPAC9,14-dimethyl-3,10,13-trithia-5-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,14-hexaene;ethane
SMILESCC.Cc1cc2c3ncsc3c3cc(C)sc3c2s1
InChIInChI=1S/C13H9NS3.C2H6/c1-6-3-8-10-11(15-5-14-10)9-4-7(2)17-13(9)12(8)16-6;1-2/h3-5H,1-2H3;1-2H3
InChIKeyLNVFNVDGTSBBRT-UHFFFAOYSA-N
MW305.49 g/mol
LogP6.37
Rot. Bonds

About 9,14-dimethyl-3,10,13-trithia-5-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,14-hexaene;ethane

9,14-dimethyl-3,10,13-trithia-5-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,14-hexaene;ethane (PubChem CID 144537701) has the molecular formula C15H15NS3 and a molecular weight of 305.49 g/mol. Its IUPAC name is 9,14-dimethyl-3,10,13-trithia-5-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,14-hexaene;ethane.

Molecular Properties

Compound Name9,14-dimethyl-3,10,13-trithia-5-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,14-hexaene;ethane
PubChem CID144537701
Molecular FormulaC15H15NS3
Molecular Weight305.49 g/mol
Exact Mass305.04
IUPAC Name9,14-dimethyl-3,10,13-trithia-5-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,14-hexaene;ethane
SMILESCC.Cc1cc2c3ncsc3c3cc(C)sc3c2s1
InChIInChI=1S/C13H9NS3.C2H6/c1-6-3-8-10-11(15-5-14-10)9-4-7(2)17-13(9)12(8)16-6;1-2/h3-5H,1-2H3;1-2H3
InChIKeyLNVFNVDGTSBBRT-UHFFFAOYSA-N
XLogP6.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.49
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9,14-dimethyl-3,10,13-trithia-5-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,14-hexaene;ethane with MolForge

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Related Compounds

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CID 59782205
4,9-dimethyl-5,8-dithia-13,16-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,3,6,9,11,14-hexaene;ethane
CID 144994363
4,6,7-trimethyl-[1,3]thiazolo[4,5-c]pyridine
CID 166990343
13-carbazol-9-yl-4-methyl-5,10-dithia-1,8,15-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),3,7(11),8,12,14-hexaene
CID 59359085
7-chloro-2,4-dimethylthieno[2,3-c]pyridine
CID 130048871
4-chloro-2,7-dimethylthieno[3,2-c]pyridine
CID 130047480
2,5-dimethylthieno[3,2-b]thiophene;ethane
CID 144533203
4,10-dimethyl-5,9-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene
CID 138667135
ethane;2-methylthieno[2,3-d]pyridazin-4-amine
CID 178061037
4-(bromomethyl)-2-methyl-7-methylsulfanyl-1-benzothiophene
CID 131096710
14,15-dihexadecyl-5,8-dithia-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),3,7(11),9,13,15-heptaene
CID 70798145
ethane;7-fluoro-4-propan-2-yl-1,3-benzothiazole
CID 163391719

Frequently Asked Questions

What is the IUPAC name of 9,14-dimethyl-3,10,13-trithia-5-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,14-hexaene;ethane?
The IUPAC name of 9,14-dimethyl-3,10,13-trithia-5-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,14-hexaene;ethane (CID 144537701) is 9,14-dimethyl-3,10,13-trithia-5-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,14-hexaene;ethane.
What is the SMILES notation for 9,14-dimethyl-3,10,13-trithia-5-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,14-hexaene;ethane?
The canonical SMILES for 9,14-dimethyl-3,10,13-trithia-5-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,14-hexaene;ethane is CC.Cc1cc2c3ncsc3c3cc(C)sc3c2s1.
What is the InChIKey of 9,14-dimethyl-3,10,13-trithia-5-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,14-hexaene;ethane?
The InChIKey is LNVFNVDGTSBBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NS3.C2H6/c1-6-3-8-10-11(15-5-14-10)9-4-7(2)17-13(9)12(8)16-6;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of 9,14-dimethyl-3,10,13-trithia-5-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,14-hexaene;ethane?
9,14-dimethyl-3,10,13-trithia-5-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,14-hexaene;ethane has a molecular weight of 305.49 g/mol, XLogP of 6.37, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,14-dimethyl-3,10,13-trithia-5-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,14-hexaene;ethane is sourced from PubChem (CID 144537701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).