(6S)-6-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-2-oxa-5,8-diazaspiro[3.5]nonan-7-one

C14H22N4O4S — CID 146103520

About (6S)-6-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-2-oxa-5,8-diazaspiro[3.5]nonan-7-one

(6S)-6-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-2-oxa-5,8-diazaspiro[3.5]nonan-7-one (PubChem CID 146103520) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is (6S)-6-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-2-oxa-5,8-diazaspiro[3.5]nonan-7-one.

Molecular Properties

• Compound Name: (6S)-6-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-2-oxa-5,8-diazaspiro[3.5]nonan-7-one
• PubChem CID: 146103520
• Molecular Formula: C14H22N4O4S
• Molecular Weight: 342.42 g/mol
• Exact Mass: 342.14
• IUPAC Name: (6S)-6-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-2-oxa-5,8-diazaspiro[3.5]nonan-7-one
• SMILES: CC(C)Cn1cnc(S(=O)(=O)N2[C@@H](C)C(=O)NCC23COC3)c1
• InChI: InChI=1S/C14H22N4O4S/c1-10(2)4-17-5-12(16-9-17)23(20,21)18-11(3)13(19)15-6-14(18)7-22-8-14/h5,9-11H,4,6-8H2,1-3H3,(H,15,19)/t11-/m0/s1
• InChIKey: RAOMEXWEXGBVLQ-NSHDSACASA-N
• XLogP: -0.18
• TPSA: 93.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.42
LogP ≤ 5	-0.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-2-oxa-5,8-diazaspiro[3.5]nonan-7-one?

The IUPAC name of (6S)-6-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-2-oxa-5,8-diazaspiro[3.5]nonan-7-one (CID 146103520) is (6S)-6-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-2-oxa-5,8-diazaspiro[3.5]nonan-7-one.

What is the SMILES notation for (6S)-6-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-2-oxa-5,8-diazaspiro[3.5]nonan-7-one?

The canonical SMILES for (6S)-6-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-2-oxa-5,8-diazaspiro[3.5]nonan-7-one is CC(C)Cn1cnc(S(=O)(=O)N2[C@@H](C)C(=O)NCC23COC3)c1.

What is the InChIKey of (6S)-6-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-2-oxa-5,8-diazaspiro[3.5]nonan-7-one?

The InChIKey is RAOMEXWEXGBVLQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-10(2)4-17-5-12(16-9-17)23(20,21)18-11(3)13(19)15-6-14(18)7-22-8-14/h5,9-11H,4,6-8H2,1-3H3,(H,15,19)/t11-/m0/s1.

What are the key properties of (6S)-6-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-2-oxa-5,8-diazaspiro[3.5]nonan-7-one?

(6S)-6-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-2-oxa-5,8-diazaspiro[3.5]nonan-7-one has a molecular weight of 342.42 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-6-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]sulfonyl-2-oxa-5,8-diazaspiro[3.5]nonan-7-one is sourced from PubChem (CID 146103520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).