N,N,1-trimethyl-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-sulfonamide

C16H23N3O3S — CID 97401440

IUPACN,N,1-trimethyl-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-sulfonamide
SMILESCN1C(=O)CC2(CCN(S(=O)(=O)N(C)C)CC2)c2ccccc21
InChIInChI=1S/C16H23N3O3S/c1-17(2)23(21,22)19-10-8-16(9-11-19)12-15(20)18(3)14-7-5-4-6-13(14)16/h4-7H,8-12H2,1-3H3
InChIKeyLUFDFDNCXLEEOZ-UHFFFAOYSA-N
MW337.44 g/mol
LogP1.19
Rot. Bonds2

About N,N,1-trimethyl-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-sulfonamide

N,N,1-trimethyl-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-sulfonamide (PubChem CID 97401440) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is N,N,1-trimethyl-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-sulfonamide.

Molecular Properties

Compound NameN,N,1-trimethyl-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-sulfonamide
PubChem CID97401440
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC NameN,N,1-trimethyl-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-sulfonamide
SMILESCN1C(=O)CC2(CCN(S(=O)(=O)N(C)C)CC2)c2ccccc21
InChIInChI=1S/C16H23N3O3S/c1-17(2)23(21,22)19-10-8-16(9-11-19)12-15(20)18(3)14-7-5-4-6-13(14)16/h4-7H,8-12H2,1-3H3
InChIKeyLUFDFDNCXLEEOZ-UHFFFAOYSA-N
XLogP1.19
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-sulfonamide?
The IUPAC name of N,N,1-trimethyl-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-sulfonamide (CID 97401440) is N,N,1-trimethyl-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-sulfonamide.
What is the SMILES notation for N,N,1-trimethyl-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-sulfonamide?
The canonical SMILES for N,N,1-trimethyl-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-sulfonamide is CN1C(=O)CC2(CCN(S(=O)(=O)N(C)C)CC2)c2ccccc21.
What is the InChIKey of N,N,1-trimethyl-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-sulfonamide?
The InChIKey is LUFDFDNCXLEEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-17(2)23(21,22)19-10-8-16(9-11-19)12-15(20)18(3)14-7-5-4-6-13(14)16/h4-7H,8-12H2,1-3H3.
What are the key properties of N,N,1-trimethyl-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-sulfonamide?
N,N,1-trimethyl-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-sulfonamide has a molecular weight of 337.44 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-sulfonamide is sourced from PubChem (CID 97401440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).