ethane;3-thia-19-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,13,15,17-nonaene

C24H29NS — CID 91429169

IUPACethane;3-thia-19-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,13,15,17-nonaene
SMILESCC.CC.CC.c1ccc2c(c1)sc1c2ccc2c1cn1ccccc21
InChIInChI=1S/C18H11NS.3C2H6/c1-2-7-17-13(5-1)14-9-8-12-15(18(14)20-17)11-19-10-4-3-6-16(12)19;3*1-2/h1-11H;3*1-2H3
InChIKeyALLWBGPWOXVNMI-UHFFFAOYSA-N
MW363.57 g/mol
LogP8.54
Rot. Bonds

About ethane;3-thia-19-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,13,15,17-nonaene

ethane;3-thia-19-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,13,15,17-nonaene (PubChem CID 91429169) has the molecular formula C24H29NS and a molecular weight of 363.57 g/mol. Its IUPAC name is ethane;3-thia-19-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,13,15,17-nonaene.

Molecular Properties

Compound Nameethane;3-thia-19-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,13,15,17-nonaene
PubChem CID91429169
Molecular FormulaC24H29NS
Molecular Weight363.57 g/mol
Exact Mass363.20
IUPAC Nameethane;3-thia-19-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,13,15,17-nonaene
SMILESCC.CC.CC.c1ccc2c(c1)sc1c2ccc2c1cn1ccccc21
InChIInChI=1S/C18H11NS.3C2H6/c1-2-7-17-13(5-1)14-9-8-12-15(18(14)20-17)11-19-10-4-3-6-16(12)19;3*1-2/h1-11H;3*1-2H3
InChIKeyALLWBGPWOXVNMI-UHFFFAOYSA-N
XLogP8.54
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.57
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;3-thia-19-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,13,15,17-nonaene 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

15-ethyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 135242724
9-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)dibenzothiophen-3-yl]carbazole
CID 118530396
12-iodo-[1]benzothiolo[2,3-a]carbazole
CID 126517535
bis(dibenzothiophene);ethane
CID 143921746
15-methyl-12,18-dithia-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 134472332
15-octyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 135242710
15-decyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 135242711
15-hexadecyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 135242745
9-dibenzothiophen-4-yl-3-methylcarbazole
CID 90224671
12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole
CID 118503017
dibenzothiophene;ethane;molecular hydrogen
CID 145320534
CID 163661867
CID 163661867

Frequently Asked Questions

What is the IUPAC name of ethane;3-thia-19-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,13,15,17-nonaene?
The IUPAC name of ethane;3-thia-19-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,13,15,17-nonaene (CID 91429169) is ethane;3-thia-19-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,13,15,17-nonaene.
What is the SMILES notation for ethane;3-thia-19-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,13,15,17-nonaene?
The canonical SMILES for ethane;3-thia-19-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,13,15,17-nonaene is CC.CC.CC.c1ccc2c(c1)sc1c2ccc2c1cn1ccccc21.
What is the InChIKey of ethane;3-thia-19-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,13,15,17-nonaene?
The InChIKey is ALLWBGPWOXVNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NS.3C2H6/c1-2-7-17-13(5-1)14-9-8-12-15(18(14)20-17)11-19-10-4-3-6-16(12)19;3*1-2/h1-11H;3*1-2H3.
What are the key properties of ethane;3-thia-19-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,13,15,17-nonaene?
ethane;3-thia-19-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,13,15,17-nonaene has a molecular weight of 363.57 g/mol, XLogP of 8.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-thia-19-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,13,15,17-nonaene is sourced from PubChem (CID 91429169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).