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

C21H35NO5S — CID 10273180

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

1-[(5R)-7',7'-dimethyl-4-oxo-5-prop-2-enylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]-N,N-di(propan-2-yl)methanesulfonamide (PubChem CID 10273180) has the molecular formula C21H35NO5S and a molecular weight of 413.58 g/mol. Its IUPAC name is 1-[(5R)-7',7'-dimethyl-4-oxo-5-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-[(5R)-7',7'-dimethyl-4-oxo-5-prop-2-enylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]-N,N-di(propan-2-yl)methanesulfonamide
• PubChem CID: 10273180
• Molecular Formula: C21H35NO5S
• Molecular Weight: 413.58 g/mol
• Exact Mass: 413.22
• IUPAC Name: 1-[(5R)-7',7'-dimethyl-4-oxo-5-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@H]1OC2(CC3CCC2(CS(=O)(=O)N(C(C)C)C(C)C)C3(C)C)OC1=O
• InChI: InChI=1S/C21H35NO5S/c1-8-9-17-18(23)27-21(26-17)12-16-10-11-20(21,19(16,6)7)13-28(24,25)22(14(2)3)15(4)5/h8,14-17H,1,9-13H2,2-7H3/t16?,17-,20?,21?/m1/s1
• InChIKey: UAQOMVJOQXFNNQ-VFXSQVSXSA-N
• XLogP: 3.48
• TPSA: 72.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.58
LogP ≤ 5	3.48
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-[(5R)-7',7'-dimethyl-4-oxo-5-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-[(5R)-7',7'-dimethyl-4-oxo-5-prop-2-enylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]-N,N-di(propan-2-yl)methanesulfonamide (CID 10273180) is 1-[(5R)-7',7'-dimethyl-4-oxo-5-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-[(5R)-7',7'-dimethyl-4-oxo-5-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-[(5R)-7',7'-dimethyl-4-oxo-5-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@H]1OC2(CC3CCC2(CS(=O)(=O)N(C(C)C)C(C)C)C3(C)C)OC1=O.

What is the InChIKey of 1-[(5R)-7',7'-dimethyl-4-oxo-5-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 UAQOMVJOQXFNNQ-VFXSQVSXSA-N. The full InChI is InChI=1S/C21H35NO5S/c1-8-9-17-18(23)27-21(26-17)12-16-10-11-20(21,19(16,6)7)13-28(24,25)22(14(2)3)15(4)5/h8,14-17H,1,9-13H2,2-7H3/t16?,17-,20?,21?/m1/s1.

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

1-[(5R)-7',7'-dimethyl-4-oxo-5-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 413.58 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5R)-7',7'-dimethyl-4-oxo-5-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 10273180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).