1-[(4R)-7',7'-dimethyl-5-oxo-4-phenyl-4-prop-2-enylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]-N,N-di(propan-2-yl)methanesulfonamide

C27H39NO5S — CID 10228168

About 1-[(4R)-7',7'-dimethyl-5-oxo-4-phenyl-4-prop-2-enylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]-N,N-di(propan-2-yl)methanesulfonamide

1-[(4R)-7',7'-dimethyl-5-oxo-4-phenyl-4-prop-2-enylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]-N,N-di(propan-2-yl)methanesulfonamide (PubChem CID 10228168) has the molecular formula C27H39NO5S and a molecular weight of 489.68 g/mol. Its IUPAC name is 1-[(4R)-7',7'-dimethyl-5-oxo-4-phenyl-4-prop-2-enylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]-N,N-di(propan-2-yl)methanesulfonamide.

Molecular Properties

• Compound Name: 1-[(4R)-7',7'-dimethyl-5-oxo-4-phenyl-4-prop-2-enylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]-N,N-di(propan-2-yl)methanesulfonamide
• PubChem CID: 10228168
• Molecular Formula: C27H39NO5S
• Molecular Weight: 489.68 g/mol
• Exact Mass: 489.25
• IUPAC Name: 1-[(4R)-7',7'-dimethyl-5-oxo-4-phenyl-4-prop-2-enylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]-N,N-di(propan-2-yl)methanesulfonamide
• SMILES: C=CC[C@]1(c2ccccc2)OC2(CC3CCC2(CS(=O)(=O)N(C(C)C)C(C)C)C3(C)C)OC1=O
• InChI: InChI=1S/C27H39NO5S/c1-8-15-26(21-12-10-9-11-13-21)23(29)32-27(33-26)17-22-14-16-25(27,24(22,6)7)18-34(30,31)28(19(2)3)20(4)5/h8-13,19-20,22H,1,14-18H2,2-7H3/t22?,25?,26-,27?/m1/s1
• InChIKey: MNDUYQVECRKRSK-KCBUDPKISA-N
• XLogP: 5.00
• TPSA: 72.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.68
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-7',7'-dimethyl-5-oxo-4-phenyl-4-prop-2-enylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]-N,N-di(propan-2-yl)methanesulfonamide?

The IUPAC name of 1-[(4R)-7',7'-dimethyl-5-oxo-4-phenyl-4-prop-2-enylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]-N,N-di(propan-2-yl)methanesulfonamide (CID 10228168) is 1-[(4R)-7',7'-dimethyl-5-oxo-4-phenyl-4-prop-2-enylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]-N,N-di(propan-2-yl)methanesulfonamide.

What is the SMILES notation for 1-[(4R)-7',7'-dimethyl-5-oxo-4-phenyl-4-prop-2-enylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]-N,N-di(propan-2-yl)methanesulfonamide?

The canonical SMILES for 1-[(4R)-7',7'-dimethyl-5-oxo-4-phenyl-4-prop-2-enylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]-N,N-di(propan-2-yl)methanesulfonamide is C=CC[C@]1(c2ccccc2)OC2(CC3CCC2(CS(=O)(=O)N(C(C)C)C(C)C)C3(C)C)OC1=O.

What is the InChIKey of 1-[(4R)-7',7'-dimethyl-5-oxo-4-phenyl-4-prop-2-enylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]-N,N-di(propan-2-yl)methanesulfonamide?

The InChIKey is MNDUYQVECRKRSK-KCBUDPKISA-N. The full InChI is InChI=1S/C27H39NO5S/c1-8-15-26(21-12-10-9-11-13-21)23(29)32-27(33-26)17-22-14-16-25(27,24(22,6)7)18-34(30,31)28(19(2)3)20(4)5/h8-13,19-20,22H,1,14-18H2,2-7H3/t22?,25?,26-,27?/m1/s1.

What are the key properties of 1-[(4R)-7',7'-dimethyl-5-oxo-4-phenyl-4-prop-2-enylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]-N,N-di(propan-2-yl)methanesulfonamide?

1-[(4R)-7',7'-dimethyl-5-oxo-4-phenyl-4-prop-2-enylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]-N,N-di(propan-2-yl)methanesulfonamide has a molecular weight of 489.68 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4R)-7',7'-dimethyl-5-oxo-4-phenyl-4-prop-2-enylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]-N,N-di(propan-2-yl)methanesulfonamide is sourced from PubChem (CID 10228168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).