1-[4-[(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone

C18H26N2O4S — CID 52918753

About 1-[4-[(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone

1-[4-[(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone (PubChem CID 52918753) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 1-[4-[(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone
• PubChem CID: 52918753
• Molecular Formula: C18H26N2O4S
• Molecular Weight: 366.48 g/mol
• Exact Mass: 366.16
• IUPAC Name: 1-[4-[(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone
• SMILES: CC(=O)c1ccc(S(=O)(=O)N2CCOC23CCN(C(C)C)CC3)cc1
• InChI: InChI=1S/C18H26N2O4S/c1-14(2)19-10-8-18(9-11-19)20(12-13-24-18)25(22,23)17-6-4-16(5-7-17)15(3)21/h4-7,14H,8-13H2,1-3H3
• InChIKey: UXNIGRJHJOYWGI-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 66.92 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.48
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone?

The IUPAC name of 1-[4-[(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone (CID 52918753) is 1-[4-[(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone.

What is the SMILES notation for 1-[4-[(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone?

The canonical SMILES for 1-[4-[(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone is CC(=O)c1ccc(S(=O)(=O)N2CCOC23CCN(C(C)C)CC3)cc1.

What is the InChIKey of 1-[4-[(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone?

The InChIKey is UXNIGRJHJOYWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-14(2)19-10-8-18(9-11-19)20(12-13-24-18)25(22,23)17-6-4-16(5-7-17)15(3)21/h4-7,14H,8-13H2,1-3H3.

What are the key properties of 1-[4-[(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone?

1-[4-[(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone has a molecular weight of 366.48 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone is sourced from PubChem (CID 52918753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).