1'-(benzenesulfonyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine

C18H20N4O2S — CID 10970331

IUPAC1'-(benzenesulfonyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine
SMILESNC1=NC2(CCN(S(=O)(=O)c3ccccc3)CC2)Nc2ccccc21
InChIInChI=1S/C18H20N4O2S/c19-17-15-8-4-5-9-16(15)20-18(21-17)10-12-22(13-11-18)25(23,24)14-6-2-1-3-7-14/h1-9,20H,10-13H2,(H2,19,21)
InChIKeyWSPPFKUACOZVMQ-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.00
Rot. Bonds2

About 1'-(benzenesulfonyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine

1'-(benzenesulfonyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine (PubChem CID 10970331) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1'-(benzenesulfonyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine.

Molecular Properties

Compound Name1'-(benzenesulfonyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine
PubChem CID10970331
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name1'-(benzenesulfonyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine
SMILESNC1=NC2(CCN(S(=O)(=O)c3ccccc3)CC2)Nc2ccccc21
InChIInChI=1S/C18H20N4O2S/c19-17-15-8-4-5-9-16(15)20-18(21-17)10-12-22(13-11-18)25(23,24)14-6-2-1-3-7-14/h1-9,20H,10-13H2,(H2,19,21)
InChIKeyWSPPFKUACOZVMQ-UHFFFAOYSA-N
XLogP2.00
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1'-(benzenesulfonyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-(benzenesulfonyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine?
The IUPAC name of 1'-(benzenesulfonyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine (CID 10970331) is 1'-(benzenesulfonyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine.
What is the SMILES notation for 1'-(benzenesulfonyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine?
The canonical SMILES for 1'-(benzenesulfonyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine is NC1=NC2(CCN(S(=O)(=O)c3ccccc3)CC2)Nc2ccccc21.
What is the InChIKey of 1'-(benzenesulfonyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine?
The InChIKey is WSPPFKUACOZVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c19-17-15-8-4-5-9-16(15)20-18(21-17)10-12-22(13-11-18)25(23,24)14-6-2-1-3-7-14/h1-9,20H,10-13H2,(H2,19,21).
What are the key properties of 1'-(benzenesulfonyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine?
1'-(benzenesulfonyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine has a molecular weight of 356.45 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(benzenesulfonyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine is sourced from PubChem (CID 10970331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).