furan-3-yl-[(6R)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone

C14H20N2O6S — CID 97373146

About furan-3-yl-[(6R)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone

furan-3-yl-[(6R)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone (PubChem CID 97373146) has the molecular formula C14H20N2O6S and a molecular weight of 344.39 g/mol. Its IUPAC name is furan-3-yl-[(6R)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone.

Molecular Properties

• Compound Name: furan-3-yl-[(6R)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
• PubChem CID: 97373146
• Molecular Formula: C14H20N2O6S
• Molecular Weight: 344.39 g/mol
• Exact Mass: 344.10
• IUPAC Name: furan-3-yl-[(6R)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
• SMILES: CS(=O)(=O)N1CCOC[C@@]2(CN(C(=O)c3ccoc3)CCO2)C1
• InChI: InChI=1S/C14H20N2O6S/c1-23(18,19)16-4-6-21-11-14(10-16)9-15(3-7-22-14)13(17)12-2-5-20-8-12/h2,5,8H,3-4,6-7,9-11H2,1H3/t14-/m1/s1
• InChIKey: IQMBVQHUZGAIHF-CQSZACIVSA-N
• XLogP: -0.22
• TPSA: 89.29 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.39
LogP ≤ 5	-0.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[(6R)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?

The IUPAC name of furan-3-yl-[(6R)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone (CID 97373146) is furan-3-yl-[(6R)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone.

What is the SMILES notation for furan-3-yl-[(6R)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?

The canonical SMILES for furan-3-yl-[(6R)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone is CS(=O)(=O)N1CCOC[C@@]2(CN(C(=O)c3ccoc3)CCO2)C1.

What is the InChIKey of furan-3-yl-[(6R)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?

The InChIKey is IQMBVQHUZGAIHF-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20N2O6S/c1-23(18,19)16-4-6-21-11-14(10-16)9-15(3-7-22-14)13(17)12-2-5-20-8-12/h2,5,8H,3-4,6-7,9-11H2,1H3/t14-/m1/s1.

What are the key properties of furan-3-yl-[(6R)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?

furan-3-yl-[(6R)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone has a molecular weight of 344.39 g/mol, XLogP of -0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for furan-3-yl-[(6R)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone is sourced from PubChem (CID 97373146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).