1-[2-(2,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]pyrrolidin-2-one

C18H25N3O3S — CID 123482403

IUPAC1-[2-(2,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccccc1S(=O)(=O)N1CCC2(CCNC2)CC1
InChIInChI=1S/C18H25N3O3S/c22-17-6-3-11-21(17)15-4-1-2-5-16(15)25(23,24)20-12-8-18(9-13-20)7-10-19-14-18/h1-2,4-5,19H,3,6-14H2
InChIKeyGUWSKHMYHIRQIN-UHFFFAOYSA-N
MW363.48 g/mol
LogP1.58
Rot. Bonds3

About 1-[2-(2,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]pyrrolidin-2-one

1-[2-(2,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]pyrrolidin-2-one (PubChem CID 123482403) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 1-[2-(2,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]pyrrolidin-2-one
PubChem CID123482403
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name1-[2-(2,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccccc1S(=O)(=O)N1CCC2(CCNC2)CC1
InChIInChI=1S/C18H25N3O3S/c22-17-6-3-11-21(17)15-4-1-2-5-16(15)25(23,24)20-12-8-18(9-13-20)7-10-19-14-18/h1-2,4-5,19H,3,6-14H2
InChIKeyGUWSKHMYHIRQIN-UHFFFAOYSA-N
XLogP1.58
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(2,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]pyrrolidin-2-one (CID 123482403) is 1-[2-(2,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(2,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccccc1S(=O)(=O)N1CCC2(CCNC2)CC1.
What is the InChIKey of 1-[2-(2,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]pyrrolidin-2-one?
The InChIKey is GUWSKHMYHIRQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c22-17-6-3-11-21(17)15-4-1-2-5-16(15)25(23,24)20-12-8-18(9-13-20)7-10-19-14-18/h1-2,4-5,19H,3,6-14H2.
What are the key properties of 1-[2-(2,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]pyrrolidin-2-one?
1-[2-(2,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]pyrrolidin-2-one has a molecular weight of 363.48 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 123482403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).