ethane;1,10,18,18,19,19-hexamethyl-8-oxa-4-thia-11-azapentacyclo[9.8.0.02,9.03,7.012,17]nonadeca-2(9),3(7),5,12,14,16-hexaene

C24H31NOS — CID 162284071

IUPACethane;1,10,18,18,19,19-hexamethyl-8-oxa-4-thia-11-azapentacyclo[9.8.0.02,9.03,7.012,17]nonadeca-2(9),3(7),5,12,14,16-hexaene
SMILESCC.CC1c2oc3ccsc3c2C2(C)N1c1ccccc1C(C)(C)C2(C)C
InChIInChI=1S/C22H25NOS.C2H6/c1-13-18-17(19-16(24-18)11-12-25-19)22(6)21(4,5)20(2,3)14-9-7-8-10-15(14)23(13)22;1-2/h7-13H,1-6H3;1-2H3
InChIKeyPUBXEMPPASHRDJ-UHFFFAOYSA-N
MW381.59 g/mol
LogP7.63
Rot. Bonds

About ethane;1,10,18,18,19,19-hexamethyl-8-oxa-4-thia-11-azapentacyclo[9.8.0.02,9.03,7.012,17]nonadeca-2(9),3(7),5,12,14,16-hexaene

ethane;1,10,18,18,19,19-hexamethyl-8-oxa-4-thia-11-azapentacyclo[9.8.0.02,9.03,7.012,17]nonadeca-2(9),3(7),5,12,14,16-hexaene (PubChem CID 162284071) has the molecular formula C24H31NOS and a molecular weight of 381.59 g/mol. Its IUPAC name is ethane;1,10,18,18,19,19-hexamethyl-8-oxa-4-thia-11-azapentacyclo[9.8.0.02,9.03,7.012,17]nonadeca-2(9),3(7),5,12,14,16-hexaene.

Molecular Properties

Compound Nameethane;1,10,18,18,19,19-hexamethyl-8-oxa-4-thia-11-azapentacyclo[9.8.0.02,9.03,7.012,17]nonadeca-2(9),3(7),5,12,14,16-hexaene
PubChem CID162284071
Molecular FormulaC24H31NOS
Molecular Weight381.59 g/mol
Exact Mass381.21
IUPAC Nameethane;1,10,18,18,19,19-hexamethyl-8-oxa-4-thia-11-azapentacyclo[9.8.0.02,9.03,7.012,17]nonadeca-2(9),3(7),5,12,14,16-hexaene
SMILESCC.CC1c2oc3ccsc3c2C2(C)N1c1ccccc1C(C)(C)C2(C)C
InChIInChI=1S/C22H25NOS.C2H6/c1-13-18-17(19-16(24-18)11-12-25-19)22(6)21(4,5)20(2,3)14-9-7-8-10-15(14)23(13)22;1-2/h7-13H,1-6H3;1-2H3
InChIKeyPUBXEMPPASHRDJ-UHFFFAOYSA-N
XLogP7.63
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.59
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;1,10,18,18,19,19-hexamethyl-8-oxa-4-thia-11-azapentacyclo[9.8.0.02,9.03,7.012,17]nonadeca-2(9),3(7),5,12,14,16-hexaene 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

9-methyl-10-(2-methylphenyl)spiro[7-oxa-3-thia-10-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4-triene-11,1'-cyclohexane]
CID 162283453
1,10,13,18,18,19,19-heptamethyl-3-oxa-7-thia-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),5,12,14,16-hexaene
CID 162295913
1,5,5,6,6,6a,11-heptamethyl-11H-isoindolo[2,1-a]quinoline
CID 162295631
ethane;1,10,18,18,19,19-hexamethyl-6-thia-3,8,11-triazapentacyclo[9.8.0.02,9.03,7.012,17]nonadeca-2(9),4,7,12,14,16-hexaene;1,4,8,10,18,18,19,19-octamethyl-4,8,11-triazapentacyclo[9.8.0.02,9.03,7.012,17]nonadeca-2(9),3(7),5,12,14,16-hexaene;3,7,9-trimethyl-10-(2-methylphenyl)spiro[3,7,10-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4-triene-11,2'-adamantane];3,7,9-trimethyl-10-(2-methylphenyl)spiro[3,7,10-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4-triene-11,1'-cyclohexane];3,7,9-trimethyl-10-(2-methylphenyl)spiro[3,7,10-triazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4-triene-11,1'-cyclopentane]
CID 162283652
1,10,13,18,18,19,19-heptamethyl-3,7-dioxa-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),5,12,14,16-hexaene
CID 162295910
10-[5-(9,9-dimethylacridin-10-yl)thiophen-2-yl]-9,9-dimethylacridine
CID 59399701
thieno[3,2-c]isochromen-5-one
CID 134948008
10,10-dimethyl-10a-(2-thiophen-2-ylethenyl)-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
CID 629675
10,10-dimethyl-10a-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
CID 5290102
9,13-dioxa-5,17-dithia-11-azapentacyclo[10.6.0.03,10.04,8.014,18]octadeca-1(12),2,4(8),6,10,14(18),15-heptaene
CID 148695832
1-[(4,4-dimethyl-2H-3,1-benzoxazin-1-yl)methyl]-4,4-dimethyl-2H-3,1-benzoxazine
CID 134105591
1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,2'-adamantane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclohexane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclopentane];6-methyl-5-(2-methylphenyl)spiro[6H-furo[2,3-c]pyrrole-4,1'-cyclopentane];bis(3,8,8,9,9,10,14,16-octamethyl-1,14-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,11(15),12-pentaene)
CID 162295658

Frequently Asked Questions

What is the IUPAC name of ethane;1,10,18,18,19,19-hexamethyl-8-oxa-4-thia-11-azapentacyclo[9.8.0.02,9.03,7.012,17]nonadeca-2(9),3(7),5,12,14,16-hexaene?
The IUPAC name of ethane;1,10,18,18,19,19-hexamethyl-8-oxa-4-thia-11-azapentacyclo[9.8.0.02,9.03,7.012,17]nonadeca-2(9),3(7),5,12,14,16-hexaene (CID 162284071) is ethane;1,10,18,18,19,19-hexamethyl-8-oxa-4-thia-11-azapentacyclo[9.8.0.02,9.03,7.012,17]nonadeca-2(9),3(7),5,12,14,16-hexaene.
What is the SMILES notation for ethane;1,10,18,18,19,19-hexamethyl-8-oxa-4-thia-11-azapentacyclo[9.8.0.02,9.03,7.012,17]nonadeca-2(9),3(7),5,12,14,16-hexaene?
The canonical SMILES for ethane;1,10,18,18,19,19-hexamethyl-8-oxa-4-thia-11-azapentacyclo[9.8.0.02,9.03,7.012,17]nonadeca-2(9),3(7),5,12,14,16-hexaene is CC.CC1c2oc3ccsc3c2C2(C)N1c1ccccc1C(C)(C)C2(C)C.
What is the InChIKey of ethane;1,10,18,18,19,19-hexamethyl-8-oxa-4-thia-11-azapentacyclo[9.8.0.02,9.03,7.012,17]nonadeca-2(9),3(7),5,12,14,16-hexaene?
The InChIKey is PUBXEMPPASHRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NOS.C2H6/c1-13-18-17(19-16(24-18)11-12-25-19)22(6)21(4,5)20(2,3)14-9-7-8-10-15(14)23(13)22;1-2/h7-13H,1-6H3;1-2H3.
What are the key properties of ethane;1,10,18,18,19,19-hexamethyl-8-oxa-4-thia-11-azapentacyclo[9.8.0.02,9.03,7.012,17]nonadeca-2(9),3(7),5,12,14,16-hexaene?
ethane;1,10,18,18,19,19-hexamethyl-8-oxa-4-thia-11-azapentacyclo[9.8.0.02,9.03,7.012,17]nonadeca-2(9),3(7),5,12,14,16-hexaene has a molecular weight of 381.59 g/mol, XLogP of 7.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,10,18,18,19,19-hexamethyl-8-oxa-4-thia-11-azapentacyclo[9.8.0.02,9.03,7.012,17]nonadeca-2(9),3(7),5,12,14,16-hexaene is sourced from PubChem (CID 162284071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).