3-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione

C11H12N2O5S2 — CID 100728515

IUPAC3-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C1COC(=O)N1[C@@H]1CCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C11H12N2O5S2/c14-9-7-18-11(15)13(9)8-3-4-12(6-8)20(16,17)10-2-1-5-19-10/h1-2,5,8H,3-4,6-7H2/t8-/m1/s1
InChIKeyXDTCGMMIEPBHRU-MRVPVSSYSA-N
MW316.36 g/mol
LogP0.49
Rot. Bonds3

About 3-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione

3-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 100728515) has the molecular formula C11H12N2O5S2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
PubChem CID100728515
Molecular FormulaC11H12N2O5S2
Molecular Weight316.36 g/mol
Exact Mass316.02
IUPAC Name3-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C1COC(=O)N1[C@@H]1CCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C11H12N2O5S2/c14-9-7-18-11(15)13(9)8-3-4-12(6-8)20(16,17)10-2-1-5-19-10/h1-2,5,8H,3-4,6-7H2/t8-/m1/s1
InChIKeyXDTCGMMIEPBHRU-MRVPVSSYSA-N
XLogP0.49
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-thiophen-2-ylsulfonylpyrrolidin-3-amine
CID 62069517
2-thiophen-2-ylsulfonyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49246031
3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 91815056
3-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine;hydrochloride
CID 119984000
3-(1-thiophen-2-ylsulfonylazetidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 121188121
4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 121156835
1-cyclopropyl-4-thiophen-2-ylsulfonylpiperazine
CID 47454442
4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597
(4-methyl-1-thiophen-2-ylsulfonylpiperidin-3-yl)methanamine
CID 114960944
2-ethyl-3-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 97416498
2,6-dimethyl-4-thiophen-2-ylsulfonylmorpholine
CID 2942574
1-thiophen-2-ylsulfonylpiperidine
CID 765823

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione (CID 100728515) is 3-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione is O=C1COC(=O)N1[C@@H]1CCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of 3-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is XDTCGMMIEPBHRU-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12N2O5S2/c14-9-7-18-11(15)13(9)8-3-4-12(6-8)20(16,17)10-2-1-5-19-10/h1-2,5,8H,3-4,6-7H2/t8-/m1/s1.
What are the key properties of 3-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
3-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 316.36 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 100728515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).