1-[5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione

C24H36N2O5S — CID 148834084

IUPAC1-[5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione
SMILESCC(C)(C)COc1cccc(C2(CS(=O)(=O)CCCCCN3CCC(=O)NC3=O)CC2)c1
InChIInChI=1S/C24H36N2O5S/c1-23(2,3)17-31-20-9-7-8-19(16-20)24(11-12-24)18-32(29,30)15-6-4-5-13-26-14-10-21(27)25-22(26)28/h7-9,16H,4-6,10-15,17-18H2,1-3H3,(H,25,27,28)
InChIKeyOUGAZSOWDTYMLZ-UHFFFAOYSA-N
MW464.63 g/mol
LogP3.67
Rot. Bonds11

About 1-[5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione

1-[5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione (PubChem CID 148834084) has the molecular formula C24H36N2O5S and a molecular weight of 464.63 g/mol. Its IUPAC name is 1-[5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione
PubChem CID148834084
Molecular FormulaC24H36N2O5S
Molecular Weight464.63 g/mol
Exact Mass464.23
IUPAC Name1-[5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione
SMILESCC(C)(C)COc1cccc(C2(CS(=O)(=O)CCCCCN3CCC(=O)NC3=O)CC2)c1
InChIInChI=1S/C24H36N2O5S/c1-23(2,3)17-31-20-9-7-8-19(16-20)24(11-12-24)18-32(29,30)15-6-4-5-13-26-14-10-21(27)25-22(26)28/h7-9,16H,4-6,10-15,17-18H2,1-3H3,(H,25,27,28)
InChIKeyOUGAZSOWDTYMLZ-UHFFFAOYSA-N
XLogP3.67
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.63
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione (CID 148834084) is 1-[5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione is CC(C)(C)COc1cccc(C2(CS(=O)(=O)CCCCCN3CCC(=O)NC3=O)CC2)c1.
What is the InChIKey of 1-[5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione?
The InChIKey is OUGAZSOWDTYMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O5S/c1-23(2,3)17-31-20-9-7-8-19(16-20)24(11-12-24)18-32(29,30)15-6-4-5-13-26-14-10-21(27)25-22(26)28/h7-9,16H,4-6,10-15,17-18H2,1-3H3,(H,25,27,28).
What are the key properties of 1-[5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione?
1-[5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione has a molecular weight of 464.63 g/mol, XLogP of 3.67, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 148834084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).