12-cyclopentyl-5-(4-methylphenyl)sulfinyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene

C19H19N5OS — CID 129131034

IUPAC12-cyclopentyl-5-(4-methylphenyl)sulfinyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
SMILESCc1ccc(S(=O)n2ccc3c2ncc2nnc(C4CCCC4)n23)cc1
InChIInChI=1S/C19H19N5OS/c1-13-6-8-15(9-7-13)26(25)23-11-10-16-19(23)20-12-17-21-22-18(24(16)17)14-4-2-3-5-14/h6-12,14H,2-5H2,1H3
InChIKeyVORKKXQFYOTZBE-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.62
Rot. Bonds3

About 12-cyclopentyl-5-(4-methylphenyl)sulfinyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene

12-cyclopentyl-5-(4-methylphenyl)sulfinyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene (PubChem CID 129131034) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 12-cyclopentyl-5-(4-methylphenyl)sulfinyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene.

Molecular Properties

Compound Name12-cyclopentyl-5-(4-methylphenyl)sulfinyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
PubChem CID129131034
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name12-cyclopentyl-5-(4-methylphenyl)sulfinyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
SMILESCc1ccc(S(=O)n2ccc3c2ncc2nnc(C4CCCC4)n23)cc1
InChIInChI=1S/C19H19N5OS/c1-13-6-8-15(9-7-13)26(25)23-11-10-16-19(23)20-12-17-21-22-18(24(16)17)14-4-2-3-5-14/h6-12,14H,2-5H2,1H3
InChIKeyVORKKXQFYOTZBE-UHFFFAOYSA-N
XLogP3.62
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 12-cyclopentyl-5-(4-methylphenyl)sulfinyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene with MolForge

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Related Compounds

12-[2-ethyl-4-(oxan-4-yloxy)cyclopentyl]-5-(4-methylphenyl)sulfinyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 129131304
N-[(1S,3R)-3-[5-(4-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]ethanesulfonamide
CID 118481357
3-cyclopentyl-5-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117142344
1-[(1S)-3-[5-(4-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]pyrrole-3-carbaldehyde
CID 58557922
3,5-difluoro-N-[(1S,3R)-3-[5-(4-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]benzenesulfonamide
CID 118481413
N-[(1S,3R)-3-[5-(4-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]-1-phenylmethanesulfonamide
CID 118481405
3-chloro-N-[(1S)-3-[5-(4-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]propane-1-sulfonamide;(1S)-3-[5-(4-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentan-1-amine
CID 160880919
5-[[(1R,3R)-3-[5-(4-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]amino]pyrazine-2-carbonitrile
CID 67998235
3-methoxy-N-[(1S,3R)-3-[5-(4-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]benzenesulfonamide
CID 118481468
5-chloro-2-fluoro-N-[(1S,3R)-3-[5-(4-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]benzenesulfonamide
CID 118481457
5-(dimethylamino)-N-[(1S,3R)-3-[5-(4-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]naphthalene-1-sulfonamide
CID 118481456
5-chloro-3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 81441691

Frequently Asked Questions

What is the IUPAC name of 12-cyclopentyl-5-(4-methylphenyl)sulfinyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The IUPAC name of 12-cyclopentyl-5-(4-methylphenyl)sulfinyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene (CID 129131034) is 12-cyclopentyl-5-(4-methylphenyl)sulfinyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene.
What is the SMILES notation for 12-cyclopentyl-5-(4-methylphenyl)sulfinyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The canonical SMILES for 12-cyclopentyl-5-(4-methylphenyl)sulfinyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene is Cc1ccc(S(=O)n2ccc3c2ncc2nnc(C4CCCC4)n23)cc1.
What is the InChIKey of 12-cyclopentyl-5-(4-methylphenyl)sulfinyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The InChIKey is VORKKXQFYOTZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-13-6-8-15(9-7-13)26(25)23-11-10-16-19(23)20-12-17-21-22-18(24(16)17)14-4-2-3-5-14/h6-12,14H,2-5H2,1H3.
What are the key properties of 12-cyclopentyl-5-(4-methylphenyl)sulfinyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
12-cyclopentyl-5-(4-methylphenyl)sulfinyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene has a molecular weight of 365.46 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-cyclopentyl-5-(4-methylphenyl)sulfinyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene is sourced from PubChem (CID 129131034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).