N-[(2S)-2-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propyl]ethanesulfonamide

C17H33N3O4S — CID 95873146

About N-[(2S)-2-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propyl]ethanesulfonamide

N-[(2S)-2-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propyl]ethanesulfonamide (PubChem CID 95873146) has the molecular formula C17H33N3O4S and a molecular weight of 375.54 g/mol. Its IUPAC name is N-[(2S)-2-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propyl]ethanesulfonamide.

Molecular Properties

• Compound Name: N-[(2S)-2-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propyl]ethanesulfonamide
• PubChem CID: 95873146
• Molecular Formula: C17H33N3O4S
• Molecular Weight: 375.54 g/mol
• Exact Mass: 375.22
• IUPAC Name: N-[(2S)-2-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propyl]ethanesulfonamide
• SMILES: CCS(=O)(=O)NC[C@H](C)N1CCC2(CC1)CN(CCC(C)C)C(=O)O2
• InChI: InChI=1S/C17H33N3O4S/c1-5-25(22,23)18-12-15(4)19-10-7-17(8-11-19)13-20(16(21)24-17)9-6-14(2)3/h14-15,18H,5-13H2,1-4H3/t15-/m0/s1
• InChIKey: ZQUPWJPTJLDJIV-HNNXBMFYSA-N
• XLogP: 1.65
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.54
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propyl]ethanesulfonamide?

The IUPAC name of N-[(2S)-2-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propyl]ethanesulfonamide (CID 95873146) is N-[(2S)-2-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propyl]ethanesulfonamide.

What is the SMILES notation for N-[(2S)-2-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propyl]ethanesulfonamide?

The canonical SMILES for N-[(2S)-2-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propyl]ethanesulfonamide is CCS(=O)(=O)NC[C@H](C)N1CCC2(CC1)CN(CCC(C)C)C(=O)O2.

What is the InChIKey of N-[(2S)-2-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propyl]ethanesulfonamide?

The InChIKey is ZQUPWJPTJLDJIV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H33N3O4S/c1-5-25(22,23)18-12-15(4)19-10-7-17(8-11-19)13-20(16(21)24-17)9-6-14(2)3/h14-15,18H,5-13H2,1-4H3/t15-/m0/s1.

What are the key properties of N-[(2S)-2-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propyl]ethanesulfonamide?

N-[(2S)-2-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propyl]ethanesulfonamide has a molecular weight of 375.54 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propyl]ethanesulfonamide is sourced from PubChem (CID 95873146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).