1-[(Z)-5-[(2R)-2-phenylpropyl]sulfonylpent-2-enyl]-1,3,5-triazine-2,4-dione

C17H21N3O4S — CID 159154711

IUPAC1-[(Z)-5-[(2R)-2-phenylpropyl]sulfonylpent-2-enyl]-1,3,5-triazine-2,4-dione
SMILESC[C@@H](CS(=O)(=O)CC/C=C\Cn1cnc(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C17H21N3O4S/c1-14(15-8-4-2-5-9-15)12-25(23,24)11-7-3-6-10-20-13-18-16(21)19-17(20)22/h2-6,8-9,13-14H,7,10-12H2,1H3,(H,19,21,22)/b6-3-/t14-/m0/s1
InChIKeyKJSWBBXWDVLZJR-XSHSDMCLSA-N
MW363.44 g/mol
LogP1.10
Rot. Bonds8

About 1-[(Z)-5-[(2R)-2-phenylpropyl]sulfonylpent-2-enyl]-1,3,5-triazine-2,4-dione

1-[(Z)-5-[(2R)-2-phenylpropyl]sulfonylpent-2-enyl]-1,3,5-triazine-2,4-dione (PubChem CID 159154711) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 1-[(Z)-5-[(2R)-2-phenylpropyl]sulfonylpent-2-enyl]-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name1-[(Z)-5-[(2R)-2-phenylpropyl]sulfonylpent-2-enyl]-1,3,5-triazine-2,4-dione
PubChem CID159154711
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name1-[(Z)-5-[(2R)-2-phenylpropyl]sulfonylpent-2-enyl]-1,3,5-triazine-2,4-dione
SMILESC[C@@H](CS(=O)(=O)CC/C=C\Cn1cnc(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C17H21N3O4S/c1-14(15-8-4-2-5-9-15)12-25(23,24)11-7-3-6-10-20-13-18-16(21)19-17(20)22/h2-6,8-9,13-14H,7,10-12H2,1H3,(H,19,21,22)/b6-3-/t14-/m0/s1
InChIKeyKJSWBBXWDVLZJR-XSHSDMCLSA-N
XLogP1.10
TPSA101.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[(Z)-5-[(2R)-2-phenylpropyl]sulfonylpent-2-enyl]-1,3,5-triazine-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-[(Z)-5-[(2R)-2-phenylpropyl]sulfonylpent-2-enyl]-1,3,5-triazine-2,4-dione?
The IUPAC name of 1-[(Z)-5-[(2R)-2-phenylpropyl]sulfonylpent-2-enyl]-1,3,5-triazine-2,4-dione (CID 159154711) is 1-[(Z)-5-[(2R)-2-phenylpropyl]sulfonylpent-2-enyl]-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 1-[(Z)-5-[(2R)-2-phenylpropyl]sulfonylpent-2-enyl]-1,3,5-triazine-2,4-dione?
The canonical SMILES for 1-[(Z)-5-[(2R)-2-phenylpropyl]sulfonylpent-2-enyl]-1,3,5-triazine-2,4-dione is C[C@@H](CS(=O)(=O)CC/C=C\Cn1cnc(=O)[nH]c1=O)c1ccccc1.
What is the InChIKey of 1-[(Z)-5-[(2R)-2-phenylpropyl]sulfonylpent-2-enyl]-1,3,5-triazine-2,4-dione?
The InChIKey is KJSWBBXWDVLZJR-XSHSDMCLSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-14(15-8-4-2-5-9-15)12-25(23,24)11-7-3-6-10-20-13-18-16(21)19-17(20)22/h2-6,8-9,13-14H,7,10-12H2,1H3,(H,19,21,22)/b6-3-/t14-/m0/s1.
What are the key properties of 1-[(Z)-5-[(2R)-2-phenylpropyl]sulfonylpent-2-enyl]-1,3,5-triazine-2,4-dione?
1-[(Z)-5-[(2R)-2-phenylpropyl]sulfonylpent-2-enyl]-1,3,5-triazine-2,4-dione has a molecular weight of 363.44 g/mol, XLogP of 1.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-5-[(2R)-2-phenylpropyl]sulfonylpent-2-enyl]-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 159154711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).