N-methyl-2-oxo-2-[(2R)-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl]ethanesulfonamide

C15H20N2O4S — CID 129353054

IUPACN-methyl-2-oxo-2-[(2R)-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl]ethanesulfonamide
SMILESCNS(=O)(=O)CC(=O)N1CC[C@]2(CCc3ccccc3O2)C1
InChIInChI=1S/C15H20N2O4S/c1-16-22(19,20)10-14(18)17-9-8-15(11-17)7-6-12-4-2-3-5-13(12)21-15/h2-5,16H,6-11H2,1H3/t15-/m1/s1
InChIKeyZMIXSTIUBNBSBS-OAHLLOKOSA-N
MW324.40 g/mol
LogP0.53
Rot. Bonds3

About N-methyl-2-oxo-2-[(2R)-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl]ethanesulfonamide

N-methyl-2-oxo-2-[(2R)-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl]ethanesulfonamide (PubChem CID 129353054) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is N-methyl-2-oxo-2-[(2R)-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-oxo-2-[(2R)-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl]ethanesulfonamide
PubChem CID129353054
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC NameN-methyl-2-oxo-2-[(2R)-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl]ethanesulfonamide
SMILESCNS(=O)(=O)CC(=O)N1CC[C@]2(CCc3ccccc3O2)C1
InChIInChI=1S/C15H20N2O4S/c1-16-22(19,20)10-14(18)17-9-8-15(11-17)7-6-12-4-2-3-5-13(12)21-15/h2-5,16H,6-11H2,1H3/t15-/m1/s1
InChIKeyZMIXSTIUBNBSBS-OAHLLOKOSA-N
XLogP0.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)propan-1-one
CID 91919626
1-(4-acetylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl)-3-methoxypropan-1-one
CID 95853985
1-[4'-(methylamino)spiro[3,5-dihydro-1,4-benzoxazepine-2,1'-cyclohexane]-4-yl]-2-phenylethanone
CID 92610246
1-(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)-2-phenoxyethanone
CID 91919618
2-(4-ethoxyphenyl)-1-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethanone
CID 90565660
1'-propan-2-ylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]
CID 90565854
cyclohexyl(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone
CID 90565574
2-chloro-1-spiro[3,5-dihydro-1,4-benzoxazepine-2,1'-cyclobutane]-4-ylethanone
CID 166407522
4-methyl-3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)isochromen-1-one
CID 166245056
(3,4-dimethylphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565592
(4-methoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565595
1'-(4-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylbutyl)spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 18700230

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-2-[(2R)-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl]ethanesulfonamide?
The IUPAC name of N-methyl-2-oxo-2-[(2R)-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl]ethanesulfonamide (CID 129353054) is N-methyl-2-oxo-2-[(2R)-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl]ethanesulfonamide.
What is the SMILES notation for N-methyl-2-oxo-2-[(2R)-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl]ethanesulfonamide?
The canonical SMILES for N-methyl-2-oxo-2-[(2R)-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl]ethanesulfonamide is CNS(=O)(=O)CC(=O)N1CC[C@]2(CCc3ccccc3O2)C1.
What is the InChIKey of N-methyl-2-oxo-2-[(2R)-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl]ethanesulfonamide?
The InChIKey is ZMIXSTIUBNBSBS-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-16-22(19,20)10-14(18)17-9-8-15(11-17)7-6-12-4-2-3-5-13(12)21-15/h2-5,16H,6-11H2,1H3/t15-/m1/s1.
What are the key properties of N-methyl-2-oxo-2-[(2R)-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl]ethanesulfonamide?
N-methyl-2-oxo-2-[(2R)-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl]ethanesulfonamide has a molecular weight of 324.40 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-2-[(2R)-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl]ethanesulfonamide is sourced from PubChem (CID 129353054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).