1'-ethylsulfonyl-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

C15H21N3O3S — CID 24716900

IUPAC1'-ethylsulfonyl-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCCS(=O)(=O)N1CCC2(CC1)NC(=O)c1cc(C)ccc1N2
InChIInChI=1S/C15H21N3O3S/c1-3-22(20,21)18-8-6-15(7-9-18)16-13-5-4-11(2)10-12(13)14(19)17-15/h4-5,10,16H,3,6-9H2,1-2H3,(H,17,19)
InChIKeyUHYKZJVVMMZVIC-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.29
Rot. Bonds2

About 1'-ethylsulfonyl-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

1'-ethylsulfonyl-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (PubChem CID 24716900) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 1'-ethylsulfonyl-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-ethylsulfonyl-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
PubChem CID24716900
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name1'-ethylsulfonyl-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCCS(=O)(=O)N1CCC2(CC1)NC(=O)c1cc(C)ccc1N2
InChIInChI=1S/C15H21N3O3S/c1-3-22(20,21)18-8-6-15(7-9-18)16-13-5-4-11(2)10-12(13)14(19)17-15/h4-5,10,16H,3,6-9H2,1-2H3,(H,17,19)
InChIKeyUHYKZJVVMMZVIC-UHFFFAOYSA-N
XLogP1.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-ethylsulfonyl-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 1'-ethylsulfonyl-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (CID 24716900) is 1'-ethylsulfonyl-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-ethylsulfonyl-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-ethylsulfonyl-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is CCS(=O)(=O)N1CCC2(CC1)NC(=O)c1cc(C)ccc1N2.
What is the InChIKey of 1'-ethylsulfonyl-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The InChIKey is UHYKZJVVMMZVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-3-22(20,21)18-8-6-15(7-9-18)16-13-5-4-11(2)10-12(13)14(19)17-15/h4-5,10,16H,3,6-9H2,1-2H3,(H,17,19).
What are the key properties of 1'-ethylsulfonyl-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
1'-ethylsulfonyl-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one has a molecular weight of 323.42 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethylsulfonyl-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 24716900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).