[(1R)-cyclohex-3-en-1-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone

C14H19N3O3S — CID 100719668

IUPAC[(1R)-cyclohex-3-en-1-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone
SMILESCn1ccnc1S(=O)(=O)C1CN(C(=O)[C@H]2CC=CCC2)C1
InChIInChI=1S/C14H19N3O3S/c1-16-8-7-15-14(16)21(19,20)12-9-17(10-12)13(18)11-5-3-2-4-6-11/h2-3,7-8,11-12H,4-6,9-10H2,1H3/t11-/m0/s1
InChIKeyPCAYRTMYEWWJHJ-NSHDSACASA-N
MW309.39 g/mol
LogP0.76
Rot. Bonds3

About [(1R)-cyclohex-3-en-1-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone

[(1R)-cyclohex-3-en-1-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone (PubChem CID 100719668) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is [(1R)-cyclohex-3-en-1-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R)-cyclohex-3-en-1-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone
PubChem CID100719668
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name[(1R)-cyclohex-3-en-1-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone
SMILESCn1ccnc1S(=O)(=O)C1CN(C(=O)[C@H]2CC=CCC2)C1
InChIInChI=1S/C14H19N3O3S/c1-16-8-7-15-14(16)21(19,20)12-9-17(10-12)13(18)11-5-3-2-4-6-11/h2-3,7-8,11-12H,4-6,9-10H2,1H3/t11-/m0/s1
InChIKeyPCAYRTMYEWWJHJ-NSHDSACASA-N
XLogP0.76
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(1R)-cyclohex-3-en-1-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone 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 [(1R)-cyclohex-3-en-1-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone?
The IUPAC name of [(1R)-cyclohex-3-en-1-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone (CID 100719668) is [(1R)-cyclohex-3-en-1-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone.
What is the SMILES notation for [(1R)-cyclohex-3-en-1-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone?
The canonical SMILES for [(1R)-cyclohex-3-en-1-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone is Cn1ccnc1S(=O)(=O)C1CN(C(=O)[C@H]2CC=CCC2)C1.
What is the InChIKey of [(1R)-cyclohex-3-en-1-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone?
The InChIKey is PCAYRTMYEWWJHJ-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-16-8-7-15-14(16)21(19,20)12-9-17(10-12)13(18)11-5-3-2-4-6-11/h2-3,7-8,11-12H,4-6,9-10H2,1H3/t11-/m0/s1.
What are the key properties of [(1R)-cyclohex-3-en-1-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone?
[(1R)-cyclohex-3-en-1-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone has a molecular weight of 309.39 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-cyclohex-3-en-1-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone is sourced from PubChem (CID 100719668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).