1'-methylsulfonylspiro[1H-quinazoline-2,4'-piperidine]-4-amine

C13H18N4O2S — CID 10859364

IUPAC1'-methylsulfonylspiro[1H-quinazoline-2,4'-piperidine]-4-amine
SMILESCS(=O)(=O)N1CCC2(CC1)N=C(N)c1ccccc1N2
InChIInChI=1S/C13H18N4O2S/c1-20(18,19)17-8-6-13(7-9-17)15-11-5-3-2-4-10(11)12(14)16-13/h2-5,15H,6-9H2,1H3,(H2,14,16)
InChIKeyICXFAHOEALHNMX-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.57
Rot. Bonds1

About 1'-methylsulfonylspiro[1H-quinazoline-2,4'-piperidine]-4-amine

1'-methylsulfonylspiro[1H-quinazoline-2,4'-piperidine]-4-amine (PubChem CID 10859364) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1'-methylsulfonylspiro[1H-quinazoline-2,4'-piperidine]-4-amine.

Molecular Properties

Compound Name1'-methylsulfonylspiro[1H-quinazoline-2,4'-piperidine]-4-amine
PubChem CID10859364
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name1'-methylsulfonylspiro[1H-quinazoline-2,4'-piperidine]-4-amine
SMILESCS(=O)(=O)N1CCC2(CC1)N=C(N)c1ccccc1N2
InChIInChI=1S/C13H18N4O2S/c1-20(18,19)17-8-6-13(7-9-17)15-11-5-3-2-4-10(11)12(14)16-13/h2-5,15H,6-9H2,1H3,(H2,14,16)
InChIKeyICXFAHOEALHNMX-UHFFFAOYSA-N
XLogP0.57
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-methylsulfonylspiro[1H-quinazoline-2,4'-piperidine]-4-amine?
The IUPAC name of 1'-methylsulfonylspiro[1H-quinazoline-2,4'-piperidine]-4-amine (CID 10859364) is 1'-methylsulfonylspiro[1H-quinazoline-2,4'-piperidine]-4-amine.
What is the SMILES notation for 1'-methylsulfonylspiro[1H-quinazoline-2,4'-piperidine]-4-amine?
The canonical SMILES for 1'-methylsulfonylspiro[1H-quinazoline-2,4'-piperidine]-4-amine is CS(=O)(=O)N1CCC2(CC1)N=C(N)c1ccccc1N2.
What is the InChIKey of 1'-methylsulfonylspiro[1H-quinazoline-2,4'-piperidine]-4-amine?
The InChIKey is ICXFAHOEALHNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-20(18,19)17-8-6-13(7-9-17)15-11-5-3-2-4-10(11)12(14)16-13/h2-5,15H,6-9H2,1H3,(H2,14,16).
What are the key properties of 1'-methylsulfonylspiro[1H-quinazoline-2,4'-piperidine]-4-amine?
1'-methylsulfonylspiro[1H-quinazoline-2,4'-piperidine]-4-amine has a molecular weight of 294.38 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylsulfonylspiro[1H-quinazoline-2,4'-piperidine]-4-amine is sourced from PubChem (CID 10859364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).