N-methyl-2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanesulfonamide

C17H24N2O3S — CID 71923230

IUPACN-methyl-2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanesulfonamide
SMILESCNS(=O)(=O)CC(=O)N1CCCC1C1CCCc2ccccc21
InChIInChI=1S/C17H24N2O3S/c1-18-23(21,22)12-17(20)19-11-5-10-16(19)15-9-4-7-13-6-2-3-8-14(13)15/h2-3,6,8,15-16,18H,4-5,7,9-12H2,1H3
InChIKeyPKWRLUDZVOBIOQ-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.65
Rot. Bonds4

About N-methyl-2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanesulfonamide

N-methyl-2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanesulfonamide (PubChem CID 71923230) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-methyl-2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanesulfonamide
PubChem CID71923230
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-methyl-2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanesulfonamide
SMILESCNS(=O)(=O)CC(=O)N1CCCC1C1CCCc2ccccc21
InChIInChI=1S/C17H24N2O3S/c1-18-23(21,22)12-17(20)19-11-5-10-16(19)15-9-4-7-13-6-2-3-8-14(13)15/h2-3,6,8,15-16,18H,4-5,7,9-12H2,1H3
InChIKeyPKWRLUDZVOBIOQ-UHFFFAOYSA-N
XLogP1.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 86813621
2-methyl-5-[2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethyl]-4H-pyrazol-3-one
CID 84595125
(2S)-1-(4-methylsulfonylbutyl)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 97225607
2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanesulfonamide
CID 84585850
2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl-(4-aminophenyl)methanone
CID 67224597
[(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(4-aminophenyl)methanone
CID 67224595
imidazo[1,2-a]pyrazin-8-yl-[(2R)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-yl]methanone
CID 97220862
[(4aS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(2-methyl-1H-inden-5-yl)methanone
CID 58294419
1-[(4aR,9aS)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-2,2,2-trifluoroethanone
CID 87305684
1-[(4aS,9aR)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-2,2,2-trifluoroethanone
CID 87305683
[(4aS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 58294448
[(4aS,10bR)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3,5-dichloro-4-hydroxyphenyl)methanone
CID 86654134

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanesulfonamide?
The IUPAC name of N-methyl-2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanesulfonamide (CID 71923230) is N-methyl-2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanesulfonamide.
What is the SMILES notation for N-methyl-2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanesulfonamide?
The canonical SMILES for N-methyl-2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanesulfonamide is CNS(=O)(=O)CC(=O)N1CCCC1C1CCCc2ccccc21.
What is the InChIKey of N-methyl-2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanesulfonamide?
The InChIKey is PKWRLUDZVOBIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-18-23(21,22)12-17(20)19-11-5-10-16(19)15-9-4-7-13-6-2-3-8-14(13)15/h2-3,6,8,15-16,18H,4-5,7,9-12H2,1H3.
What are the key properties of N-methyl-2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanesulfonamide?
N-methyl-2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanesulfonamide has a molecular weight of 336.46 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanesulfonamide is sourced from PubChem (CID 71923230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).