[(1R)-cyclohex-3-en-1-yl]-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone

C15H19NO4S — CID 97427527

IUPAC[(1R)-cyclohex-3-en-1-yl]-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone
SMILESO=C([C@H]1CC=CCC1)N1CC(S(=O)(=O)Cc2ccco2)C1
InChIInChI=1S/C15H19NO4S/c17-15(12-5-2-1-3-6-12)16-9-14(10-16)21(18,19)11-13-7-4-8-20-13/h1-2,4,7-8,12,14H,3,5-6,9-11H2/t12-/m0/s1
InChIKeyRTZQMPFVXJUIMZ-LBPRGKRZSA-N
MW309.39 g/mol
LogP1.76
Rot. Bonds4

About [(1R)-cyclohex-3-en-1-yl]-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone

[(1R)-cyclohex-3-en-1-yl]-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone (PubChem CID 97427527) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is [(1R)-cyclohex-3-en-1-yl]-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R)-cyclohex-3-en-1-yl]-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone
PubChem CID97427527
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name[(1R)-cyclohex-3-en-1-yl]-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone
SMILESO=C([C@H]1CC=CCC1)N1CC(S(=O)(=O)Cc2ccco2)C1
InChIInChI=1S/C15H19NO4S/c17-15(12-5-2-1-3-6-12)16-9-14(10-16)21(18,19)11-13-7-4-8-20-13/h1-2,4,7-8,12,14H,3,5-6,9-11H2/t12-/m0/s1
InChIKeyRTZQMPFVXJUIMZ-LBPRGKRZSA-N
XLogP1.76
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(1R)-cyclohex-3-en-1-yl]-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone with MolForge

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Related Compounds

[(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(furan-2-ylmethylsulfonyl)pyrrolidin-1-yl]methanone
CID 99873496
N-tert-butyl-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide
CID 90594685
[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-(4-methylphenyl)methanone
CID 90594657
(4-benzylsulfonylpiperidin-1-yl)-cyclohex-3-en-1-ylmethanone
CID 121022759
3-(furan-2-ylmethylsulfonyl)-N-phenylazetidine-1-carboxamide
CID 90594679
1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-3,3-diphenylpropan-1-one
CID 71809429
(2,4-dichlorophenyl)-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone
CID 90594622
1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 90594579
1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-5-phenylpentane-1,5-dione
CID 71809402
4-[3-(furan-2-ylmethylsulfonyl)azetidine-1-carbonyl]benzonitrile
CID 90594430
[(1R)-cyclohex-3-en-1-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone
CID 97417335
1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-methylpropan-1-one
CID 90590612

Frequently Asked Questions

What is the IUPAC name of [(1R)-cyclohex-3-en-1-yl]-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone?
The IUPAC name of [(1R)-cyclohex-3-en-1-yl]-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone (CID 97427527) is [(1R)-cyclohex-3-en-1-yl]-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone.
What is the SMILES notation for [(1R)-cyclohex-3-en-1-yl]-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone?
The canonical SMILES for [(1R)-cyclohex-3-en-1-yl]-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone is O=C([C@H]1CC=CCC1)N1CC(S(=O)(=O)Cc2ccco2)C1.
What is the InChIKey of [(1R)-cyclohex-3-en-1-yl]-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone?
The InChIKey is RTZQMPFVXJUIMZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19NO4S/c17-15(12-5-2-1-3-6-12)16-9-14(10-16)21(18,19)11-13-7-4-8-20-13/h1-2,4,7-8,12,14H,3,5-6,9-11H2/t12-/m0/s1.
What are the key properties of [(1R)-cyclohex-3-en-1-yl]-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone?
[(1R)-cyclohex-3-en-1-yl]-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone has a molecular weight of 309.39 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-cyclohex-3-en-1-yl]-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone is sourced from PubChem (CID 97427527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).