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

C19H26N2O3S — CID 72841930

IUPAC2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCS(=O)(=O)N1CCC2(CC1)CC(c1ccccc1)C(=O)N(C1CC1)C2
InChIInChI=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
InChIKeyFCWJUOVJXXGSPC-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.21
Rot. Bonds3

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

2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72841930) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72841930
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCS(=O)(=O)N1CCC2(CC1)CC(c1ccccc1)C(=O)N(C1CC1)C2
InChIInChI=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
InChIKeyFCWJUOVJXXGSPC-UHFFFAOYSA-N
XLogP2.21
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (CID 72841930) is 2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is CS(=O)(=O)N1CCC2(CC1)CC(c1ccccc1)C(=O)N(C1CC1)C2.
What is the InChIKey of 2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is FCWJUOVJXXGSPC-UHFFFAOYSA-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.
What are the key properties of 2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
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 2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72841930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).