(4R)-2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

C19H26N2O3S — CID 97138426

About (4R)-2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

(4R)-2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97138426) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is (4R)-2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: (4R)-2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 97138426
• Molecular Formula: C19H26N2O3S
• Molecular Weight: 362.50 g/mol
• Exact Mass: 362.17
• IUPAC Name: (4R)-2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
• SMILES: CS(=O)(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2
• InChI: InChI=1S/C19H26N2O3S/c1-25(23,24)20-11-9-19(10-12-20)13-17(15-5-3-2-4-6-15)18(22)21(14-19)16-7-8-16/h2-6,16-17H,7-14H2,1H3/t17-/m1/s1
• InChIKey: FCWJUOVJXXGSPC-QGZVFWFLSA-N
• XLogP: 2.21
• TPSA: 57.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.50
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (4R)-2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?

The IUPAC name of (4R)-2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (CID 97138426) is (4R)-2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for (4R)-2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for (4R)-2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is CS(=O)(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2.

What is the InChIKey of (4R)-2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is FCWJUOVJXXGSPC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-25(23,24)20-11-9-19(10-12-20)13-17(15-5-3-2-4-6-15)18(22)21(14-19)16-7-8-16/h2-6,16-17H,7-14H2,1H3/t17-/m1/s1.

What are the key properties of (4R)-2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?

(4R)-2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 362.50 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97138426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).