N-[2-[(8S)-2-[(1-methylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]ethanesulfonamide

C15H26N4O3S — CID 124821883

About N-[2-[(8S)-2-[(1-methylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]ethanesulfonamide

N-[2-[(8S)-2-[(1-methylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]ethanesulfonamide (PubChem CID 124821883) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is N-[2-[(8S)-2-[(1-methylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]ethanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[(8S)-2-[(1-methylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]ethanesulfonamide
• PubChem CID: 124821883
• Molecular Formula: C15H26N4O3S
• Molecular Weight: 342.47 g/mol
• Exact Mass: 342.17
• IUPAC Name: N-[2-[(8S)-2-[(1-methylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]ethanesulfonamide
• SMILES: CCS(=O)(=O)NCC[C@H]1CCOC12CN(Cc1cnn(C)c1)C2
• InChI: InChI=1S/C15H26N4O3S/c1-3-23(20,21)17-6-4-14-5-7-22-15(14)11-19(12-15)10-13-8-16-18(2)9-13/h8-9,14,17H,3-7,10-12H2,1-2H3/t14-/m0/s1
• InChIKey: YUAWHQZLXQDBAB-AWEZNQCLSA-N
• XLogP: 0.34
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.47
LogP ≤ 5	0.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[(8S)-2-[(1-methylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]ethanesulfonamide?

The IUPAC name of N-[2-[(8S)-2-[(1-methylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]ethanesulfonamide (CID 124821883) is N-[2-[(8S)-2-[(1-methylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]ethanesulfonamide.

What is the SMILES notation for N-[2-[(8S)-2-[(1-methylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]ethanesulfonamide?

The canonical SMILES for N-[2-[(8S)-2-[(1-methylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]ethanesulfonamide is CCS(=O)(=O)NCC[C@H]1CCOC12CN(Cc1cnn(C)c1)C2.

What is the InChIKey of N-[2-[(8S)-2-[(1-methylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]ethanesulfonamide?

The InChIKey is YUAWHQZLXQDBAB-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-3-23(20,21)17-6-4-14-5-7-22-15(14)11-19(12-15)10-13-8-16-18(2)9-13/h8-9,14,17H,3-7,10-12H2,1-2H3/t14-/m0/s1.

What are the key properties of N-[2-[(8S)-2-[(1-methylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]ethanesulfonamide?

N-[2-[(8S)-2-[(1-methylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]ethanesulfonamide has a molecular weight of 342.47 g/mol, XLogP of 0.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(8S)-2-[(1-methylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]ethanesulfonamide is sourced from PubChem (CID 124821883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).