N-[(1-benzyl-3-methyl-2,2-dioxo-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]ethanamine;ethane;2-fluoroprop-1-ene;prop-1-ene

C27H45FN2O2S — CID 142818703

About N-[(1-benzyl-3-methyl-2,2-dioxo-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]ethanamine;ethane;2-fluoroprop-1-ene;prop-1-ene

N-[(1-benzyl-3-methyl-2,2-dioxo-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]ethanamine;ethane;2-fluoroprop-1-ene;prop-1-ene (PubChem CID 142818703) has the molecular formula C27H45FN2O2S and a molecular weight of 480.73 g/mol. Its IUPAC name is N-[(1-benzyl-3-methyl-2,2-dioxo-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]ethanamine;ethane;2-fluoroprop-1-ene;prop-1-ene.

Molecular Properties

• Compound Name: N-[(1-benzyl-3-methyl-2,2-dioxo-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]ethanamine;ethane;2-fluoroprop-1-ene;prop-1-ene
• PubChem CID: 142818703
• Molecular Formula: C27H45FN2O2S
• Molecular Weight: 480.73 g/mol
• Exact Mass: 480.32
• IUPAC Name: N-[(1-benzyl-3-methyl-2,2-dioxo-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]ethanamine;ethane;2-fluoroprop-1-ene;prop-1-ene
• SMILES: C=C(C)F.C=CC.CC.CCNCC1=C(C)S(=O)(=O)N(Cc2ccccc2)C12CCCCC2
• InChI: InChI=1S/C19H28N2O2S.C3H5F.C3H6.C2H6/c1-3-20-14-18-16(2)24(22,23)21(15-17-10-6-4-7-11-17)19(18)12-8-5-9-13-19;1-3(2)4;1-3-2;1-2/h4,6-7,10-11,20H,3,5,8-9,12-15H2,1-2H3;1H2,2H3;3H,1H2,2H3;1-2H3
• InChIKey: ALDAZLWQBLRDNQ-UHFFFAOYSA-N
• XLogP: 7.13
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.73
LogP ≤ 5	7.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3-methyl-2,2-dioxo-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]ethanamine;ethane;2-fluoroprop-1-ene;prop-1-ene?

The IUPAC name of N-[(1-benzyl-3-methyl-2,2-dioxo-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]ethanamine;ethane;2-fluoroprop-1-ene;prop-1-ene (CID 142818703) is N-[(1-benzyl-3-methyl-2,2-dioxo-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]ethanamine;ethane;2-fluoroprop-1-ene;prop-1-ene.

What is the SMILES notation for N-[(1-benzyl-3-methyl-2,2-dioxo-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]ethanamine;ethane;2-fluoroprop-1-ene;prop-1-ene?

The canonical SMILES for N-[(1-benzyl-3-methyl-2,2-dioxo-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]ethanamine;ethane;2-fluoroprop-1-ene;prop-1-ene is C=C(C)F.C=CC.CC.CCNCC1=C(C)S(=O)(=O)N(Cc2ccccc2)C12CCCCC2.

What is the InChIKey of N-[(1-benzyl-3-methyl-2,2-dioxo-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]ethanamine;ethane;2-fluoroprop-1-ene;prop-1-ene?

The InChIKey is ALDAZLWQBLRDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S.C3H5F.C3H6.C2H6/c1-3-20-14-18-16(2)24(22,23)21(15-17-10-6-4-7-11-17)19(18)12-8-5-9-13-19;1-3(2)4;1-3-2;1-2/h4,6-7,10-11,20H,3,5,8-9,12-15H2,1-2H3;1H2,2H3;3H,1H2,2H3;1-2H3.

What are the key properties of N-[(1-benzyl-3-methyl-2,2-dioxo-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]ethanamine;ethane;2-fluoroprop-1-ene;prop-1-ene?

N-[(1-benzyl-3-methyl-2,2-dioxo-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]ethanamine;ethane;2-fluoroprop-1-ene;prop-1-ene has a molecular weight of 480.73 g/mol, XLogP of 7.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-benzyl-3-methyl-2,2-dioxo-2λ6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]ethanamine;ethane;2-fluoroprop-1-ene;prop-1-ene is sourced from PubChem (CID 142818703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).