1-[(1S)-1-naphthalen-2-ylethyl]-5-oxopyrrolidine-3-sulfonamide

C16H18N2O3S — CID 168716593

IUPAC1-[(1S)-1-naphthalen-2-ylethyl]-5-oxopyrrolidine-3-sulfonamide
SMILESC[C@@H](c1ccc2ccccc2c1)N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C16H18N2O3S/c1-11(18-10-15(9-16(18)19)22(17,20)21)13-7-6-12-4-2-3-5-14(12)8-13/h2-8,11,15H,9-10H2,1H3,(H2,17,20,21)/t11-,15?/m0/s1
InChIKeyFJYGRGWMRAAQIL-VPHXOMNUSA-N
MW318.40 g/mol
LogP1.79
Rot. Bonds3

About 1-[(1S)-1-naphthalen-2-ylethyl]-5-oxopyrrolidine-3-sulfonamide

1-[(1S)-1-naphthalen-2-ylethyl]-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168716593) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-[(1S)-1-naphthalen-2-ylethyl]-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[(1S)-1-naphthalen-2-ylethyl]-5-oxopyrrolidine-3-sulfonamide
PubChem CID168716593
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name1-[(1S)-1-naphthalen-2-ylethyl]-5-oxopyrrolidine-3-sulfonamide
SMILESC[C@@H](c1ccc2ccccc2c1)N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C16H18N2O3S/c1-11(18-10-15(9-16(18)19)22(17,20)21)13-7-6-12-4-2-3-5-14(12)8-13/h2-8,11,15H,9-10H2,1H3,(H2,17,20,21)/t11-,15?/m0/s1
InChIKeyFJYGRGWMRAAQIL-VPHXOMNUSA-N
XLogP1.79
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716591
1-(1-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 168695684
1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713263
1-[1-(3,4-dimethylphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713162
1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716400
5-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-3-sulfonyl fluoride
CID 168713164
1-[3-hydroxy-1-(4-methoxyphenyl)propyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716577
5-oxo-1-(1-pyridin-4-ylethyl)pyrrolidine-3-sulfonyl fluoride
CID 168713177
1-[(1S)-1-(4-bromophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168710964
2-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
CID 168716602
5-oxo-1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-sulfonyl chloride
CID 168710911
1-benzhydryl-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714742

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-naphthalen-2-ylethyl]-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-[(1S)-1-naphthalen-2-ylethyl]-5-oxopyrrolidine-3-sulfonamide (CID 168716593) is 1-[(1S)-1-naphthalen-2-ylethyl]-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[(1S)-1-naphthalen-2-ylethyl]-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[(1S)-1-naphthalen-2-ylethyl]-5-oxopyrrolidine-3-sulfonamide is C[C@@H](c1ccc2ccccc2c1)N1CC(S(N)(=O)=O)CC1=O.
What is the InChIKey of 1-[(1S)-1-naphthalen-2-ylethyl]-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is FJYGRGWMRAAQIL-VPHXOMNUSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11(18-10-15(9-16(18)19)22(17,20)21)13-7-6-12-4-2-3-5-14(12)8-13/h2-8,11,15H,9-10H2,1H3,(H2,17,20,21)/t11-,15?/m0/s1.
What are the key properties of 1-[(1S)-1-naphthalen-2-ylethyl]-5-oxopyrrolidine-3-sulfonamide?
1-[(1S)-1-naphthalen-2-ylethyl]-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 318.40 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-naphthalen-2-ylethyl]-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168716593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).