3-[(3S)-1-naphthalen-1-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione

C17H16N2O5S — CID 100728730

IUPAC3-[(3S)-1-naphthalen-1-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C1COC(=O)N1[C@H]1CCN(S(=O)(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C17H16N2O5S/c20-16-11-24-17(21)19(16)13-8-9-18(10-13)25(22,23)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13H,8-11H2/t13-/m0/s1
InChIKeyDJCOSWWHSYVYMK-ZDUSSCGKSA-N
MW360.39 g/mol
LogP1.58
Rot. Bonds3

About 3-[(3S)-1-naphthalen-1-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione

3-[(3S)-1-naphthalen-1-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 100728730) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is 3-[(3S)-1-naphthalen-1-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3S)-1-naphthalen-1-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
PubChem CID100728730
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC Name3-[(3S)-1-naphthalen-1-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C1COC(=O)N1[C@H]1CCN(S(=O)(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C17H16N2O5S/c20-16-11-24-17(21)19(16)13-8-9-18(10-13)25(22,23)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13H,8-11H2/t13-/m0/s1
InChIKeyDJCOSWWHSYVYMK-ZDUSSCGKSA-N
XLogP1.58
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(3S)-1-naphthalen-1-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione with MolForge

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Related Compounds

3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 91815056
6-amino-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one
CID 89125963
6,7-difluoro-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one
CID 68527661
3-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100728515
6-fluoro-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one
CID 68532811
8-methoxy-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one
CID 68527761
3-(2-chloroethyl)-1-naphthalen-1-ylsulfonylpyrrolidine
CID 114801891
3-bromo-4-methyl-1-naphthalen-1-ylsulfonylpiperidine
CID 102962673
4-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)piperidine
CID 118314265
3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156763
4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 121156835
3-ethyl-1-naphthalen-1-ylsulfonylpiperidine
CID 114795787

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-naphthalen-1-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[(3S)-1-naphthalen-1-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione (CID 100728730) is 3-[(3S)-1-naphthalen-1-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[(3S)-1-naphthalen-1-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[(3S)-1-naphthalen-1-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione is O=C1COC(=O)N1[C@H]1CCN(S(=O)(=O)c2cccc3ccccc23)C1.
What is the InChIKey of 3-[(3S)-1-naphthalen-1-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is DJCOSWWHSYVYMK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H16N2O5S/c20-16-11-24-17(21)19(16)13-8-9-18(10-13)25(22,23)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13H,8-11H2/t13-/m0/s1.
What are the key properties of 3-[(3S)-1-naphthalen-1-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
3-[(3S)-1-naphthalen-1-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 360.39 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-naphthalen-1-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 100728730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).