2-cyclohexyl-8-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7,9,9a-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1,3-dione

C23H31N3O4S — CID 154579311

IUPAC2-cyclohexyl-8-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7,9,9a-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1,3-dione
SMILESO=C1C2CN(S(=O)(=O)c3ccc4c(c3)CCCC4)CCCN2C(=O)N1C1CCCCC1
InChIInChI=1S/C23H31N3O4S/c27-22-21-16-24(31(29,30)20-12-11-17-7-4-5-8-18(17)15-20)13-6-14-25(21)23(28)26(22)19-9-2-1-3-10-19/h11-12,15,19,21H,1-10,13-14,16H2
InChIKeyFTFQOKAIYMUZCL-UHFFFAOYSA-N
MW445.59 g/mol
LogP2.93
Rot. Bonds3

About 2-cyclohexyl-8-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7,9,9a-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1,3-dione

2-cyclohexyl-8-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7,9,9a-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1,3-dione (PubChem CID 154579311) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is 2-cyclohexyl-8-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7,9,9a-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1,3-dione.

Molecular Properties

Compound Name2-cyclohexyl-8-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7,9,9a-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1,3-dione
PubChem CID154579311
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC Name2-cyclohexyl-8-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7,9,9a-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1,3-dione
SMILESO=C1C2CN(S(=O)(=O)c3ccc4c(c3)CCCC4)CCCN2C(=O)N1C1CCCCC1
InChIInChI=1S/C23H31N3O4S/c27-22-21-16-24(31(29,30)20-12-11-17-7-4-5-8-18(17)15-20)13-6-14-25(21)23(28)26(22)19-9-2-1-3-10-19/h11-12,15,19,21H,1-10,13-14,16H2
InChIKeyFTFQOKAIYMUZCL-UHFFFAOYSA-N
XLogP2.93
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 2-cyclohexyl-8-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7,9,9a-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1,3-dione 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

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-ol
CID 43394280
(3R)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962436
3-cyclohexylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine
CID 90594025
3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156797
3-(4-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azepane
CID 121146815
2-(2-methoxyethyl)-9-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-4,6,7,8,10,10a-hexahydro-3H-pyrazino[1,2-a][1,4]diazepin-1-one
CID 154579939
(3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine
CID 115301718
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-amine
CID 28804108
3-(2-bromoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 80674181
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidin-1-ylpiperidine
CID 71890474
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300298
3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 63397341

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-8-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7,9,9a-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1,3-dione?
The IUPAC name of 2-cyclohexyl-8-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7,9,9a-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1,3-dione (CID 154579311) is 2-cyclohexyl-8-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7,9,9a-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1,3-dione.
What is the SMILES notation for 2-cyclohexyl-8-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7,9,9a-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1,3-dione?
The canonical SMILES for 2-cyclohexyl-8-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7,9,9a-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1,3-dione is O=C1C2CN(S(=O)(=O)c3ccc4c(c3)CCCC4)CCCN2C(=O)N1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-8-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7,9,9a-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1,3-dione?
The InChIKey is FTFQOKAIYMUZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c27-22-21-16-24(31(29,30)20-12-11-17-7-4-5-8-18(17)15-20)13-6-14-25(21)23(28)26(22)19-9-2-1-3-10-19/h11-12,15,19,21H,1-10,13-14,16H2.
What are the key properties of 2-cyclohexyl-8-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7,9,9a-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1,3-dione?
2-cyclohexyl-8-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7,9,9a-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1,3-dione has a molecular weight of 445.59 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-8-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7,9,9a-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1,3-dione is sourced from PubChem (CID 154579311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).