N-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide

C15H22N2O4S2 — CID 133139867

About N-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide

N-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide (PubChem CID 133139867) has the molecular formula C15H22N2O4S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
• PubChem CID: 133139867
• Molecular Formula: C15H22N2O4S2
• Molecular Weight: 358.49 g/mol
• Exact Mass: 358.10
• IUPAC Name: N-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
• SMILES: Cc1ccsc1C(=O)N1CC2(C1)OCCC2CCNS(C)(=O)=O
• InChI: InChI=1S/C15H22N2O4S2/c1-11-5-8-22-13(11)14(18)17-9-15(10-17)12(4-7-21-15)3-6-16-23(2,19)20/h5,8,12,16H,3-4,6-7,9-10H2,1-2H3
• InChIKey: SJFIHUUFGATFRG-UHFFFAOYSA-N
• XLogP: 1.23
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.49
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide?

The IUPAC name of N-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide (CID 133139867) is N-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide.

What is the SMILES notation for N-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide?

The canonical SMILES for N-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide is Cc1ccsc1C(=O)N1CC2(C1)OCCC2CCNS(C)(=O)=O.

What is the InChIKey of N-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide?

The InChIKey is SJFIHUUFGATFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S2/c1-11-5-8-22-13(11)14(18)17-9-15(10-17)12(4-7-21-15)3-6-16-23(2,19)20/h5,8,12,16H,3-4,6-7,9-10H2,1-2H3.

What are the key properties of N-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide?

N-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide has a molecular weight of 358.49 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 133139867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).