(1R,2S,6R,7R)-10,10-dimethyl-1-phenyl-7-thiophen-2-yl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene

C20H22N2S — CID 10663642

IUPAC(1R,2S,6R,7R)-10,10-dimethyl-1-phenyl-7-thiophen-2-yl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene
SMILESCC1(C)[C@]2(c3cccs3)N=N[C@@]1(c1ccccc1)[C@H]1CCC[C@H]12
InChIInChI=1S/C20H22N2S/c1-18(2)19(14-8-4-3-5-9-14)15-10-6-11-16(15)20(18,22-21-19)17-12-7-13-23-17/h3-5,7-9,12-13,15-16H,6,10-11H2,1-2H3/t15-,16+,19-,20-/m0/s1
InChIKeyWUPBESZDFSAPNF-JSJNYSNDSA-N
MW322.48 g/mol
LogP5.76
Rot. Bonds2

About (1R,2S,6R,7R)-10,10-dimethyl-1-phenyl-7-thiophen-2-yl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene

(1R,2S,6R,7R)-10,10-dimethyl-1-phenyl-7-thiophen-2-yl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 10663642) has the molecular formula C20H22N2S and a molecular weight of 322.48 g/mol. Its IUPAC name is (1R,2S,6R,7R)-10,10-dimethyl-1-phenyl-7-thiophen-2-yl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name(1R,2S,6R,7R)-10,10-dimethyl-1-phenyl-7-thiophen-2-yl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene
PubChem CID10663642
Molecular FormulaC20H22N2S
Molecular Weight322.48 g/mol
Exact Mass322.15
IUPAC Name(1R,2S,6R,7R)-10,10-dimethyl-1-phenyl-7-thiophen-2-yl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene
SMILESCC1(C)[C@]2(c3cccs3)N=N[C@@]1(c1ccccc1)[C@H]1CCC[C@H]12
InChIInChI=1S/C20H22N2S/c1-18(2)19(14-8-4-3-5-9-14)15-10-6-11-16(15)20(18,22-21-19)17-12-7-13-23-17/h3-5,7-9,12-13,15-16H,6,10-11H2,1-2H3/t15-,16+,19-,20-/m0/s1
InChIKeyWUPBESZDFSAPNF-JSJNYSNDSA-N
XLogP5.76
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.48
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,2S,6R,7R)-10,10-dimethyl-1-phenyl-7-thiophen-2-yl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene 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

(1R,2S,6R,7S)-1-[(Z)-2-bromoethenyl]-10,10-dimethyl-7-phenyl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene
CID 10688862
(1S,2S,6R,7S)-1-ethenyl-10,10-dimethyl-7-phenyl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene
CID 10587844
(1S,2R,6S,7R)-1-[(Z)-2-iodoethenyl]-10,10-dimethyl-7-phenyl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene
CID 177392545
(1S,2S,6R,7S,8S)-8-methyl-7-phenyl-13,14-diazatetracyclo[5.5.2.01,8.02,6]tetradec-13-ene
CID 11780936
(1R,2S,6R,7S)-1-[(Z)-2-methoxyethenyl]-10,10-dimethyl-7-phenyl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene
CID 10661647
(1R,2R,5S,6R,9R)-9-benzyl-1,9-dimethyl-6-phenyl-7,8-diazatricyclo[4.2.1.02,5]non-7-ene
CID 94037145
2-(1-bicyclo[2.2.2]octanyl)thiophene
CID 140617889
(1R,5R)-6-phenylbicyclo[3.2.0]heptan-6-ol
CID 135044945
2-(2-phenyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)piperidine
CID 25079413
(5R)-3-cyclopentyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92582827
trans-(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropane-1-carboxylic acid
CID 94252878
3-methyl-1-thiophen-2-ylcyclopentan-1-ol
CID 64513369

Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7R)-10,10-dimethyl-1-phenyl-7-thiophen-2-yl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of (1R,2S,6R,7R)-10,10-dimethyl-1-phenyl-7-thiophen-2-yl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene (CID 10663642) is (1R,2S,6R,7R)-10,10-dimethyl-1-phenyl-7-thiophen-2-yl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for (1R,2S,6R,7R)-10,10-dimethyl-1-phenyl-7-thiophen-2-yl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for (1R,2S,6R,7R)-10,10-dimethyl-1-phenyl-7-thiophen-2-yl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene is CC1(C)[C@]2(c3cccs3)N=N[C@@]1(c1ccccc1)[C@H]1CCC[C@H]12.
What is the InChIKey of (1R,2S,6R,7R)-10,10-dimethyl-1-phenyl-7-thiophen-2-yl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is WUPBESZDFSAPNF-JSJNYSNDSA-N. The full InChI is InChI=1S/C20H22N2S/c1-18(2)19(14-8-4-3-5-9-14)15-10-6-11-16(15)20(18,22-21-19)17-12-7-13-23-17/h3-5,7-9,12-13,15-16H,6,10-11H2,1-2H3/t15-,16+,19-,20-/m0/s1.
What are the key properties of (1R,2S,6R,7R)-10,10-dimethyl-1-phenyl-7-thiophen-2-yl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene?
(1R,2S,6R,7R)-10,10-dimethyl-1-phenyl-7-thiophen-2-yl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 322.48 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7R)-10,10-dimethyl-1-phenyl-7-thiophen-2-yl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 10663642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).