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

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Related Compounds

1'-methylsulfonylspiro[1H-quinazoline-2,4'-piperidine]-4-amine
CID 10859364
4-(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzenesulfonamide
CID 21192867
(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-hydroxyphenyl)methanone
CID 21192745
1'-(3-methyl-1,2,4-oxadiazol-5-yl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine;hydrochloride
CID 67569968
1-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409
8-(4-ethylphenyl)sulfonyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 53029731
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonylaniline
CID 2052130
3-(benzenesulfonyl)-3,9-diazaspiro[5.5]undecane;hydrochloride
CID 155843749
1'-(benzenesulfonyl)spiro[2H-indene-3,4'-piperidine]-1-one
CID 177497849
7-(benzenesulfonyl)-2-oxa-7-azaspiro[3.5]nonane
CID 97399392
8-(2,4-dimethylphenyl)sulfonyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 53029742
8-(4-fluorophenyl)sulfonyl-3-thiophen-2-yl-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 22425008

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).