(3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one

C14H14N2O4S2 — CID 58238319

IUPAC(3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one
SMILESO=C1[C@H](O)CCN1c1ccc(S(=O)(=O)Cc2nccs2)cc1
InChIInChI=1S/C14H14N2O4S2/c17-12-5-7-16(14(12)18)10-1-3-11(4-2-10)22(19,20)9-13-15-6-8-21-13/h1-4,6,8,12,17H,5,7,9H2/t12-/m1/s1
InChIKeyYMHJUKVTKUDNAL-GFCCVEGCSA-N
MW338.41 g/mol
LogP1.21
Rot. Bonds4

About (3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one

(3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one (PubChem CID 58238319) has the molecular formula C14H14N2O4S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one
PubChem CID58238319
Molecular FormulaC14H14N2O4S2
Molecular Weight338.41 g/mol
Exact Mass338.04
IUPAC Name(3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one
SMILESO=C1[C@H](O)CCN1c1ccc(S(=O)(=O)Cc2nccs2)cc1
InChIInChI=1S/C14H14N2O4S2/c17-12-5-7-16(14(12)18)10-1-3-11(4-2-10)22(19,20)9-13-15-6-8-21-13/h1-4,6,8,12,17H,5,7,9H2/t12-/m1/s1
InChIKeyYMHJUKVTKUDNAL-GFCCVEGCSA-N
XLogP1.21
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)sulfonyl-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one
CID 158951404
3-[2-(2,6-dichlorophenyl)ethylamino]-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one
CID 58215366
(3S)-3-[(3R)-3-(3-chloro-5-methylphenyl)piperidin-1-yl]-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one
CID 58049442
4-(3-ethyl-2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 90767532
4-[(3S)-2-oxo-3-pyrrolidin-1-ylpyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 88538161
N-cyclotridecyl-4-(3-hydroxy-2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 146711957
4-[(3R)-3-(2,3-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 58215217
(3S)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one
CID 122515775
4-[(3S)-3-(cyclopropylamino)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 159048240
molecular hydrogen;4-[(3S)-2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 159239343
4-[3-(2,4-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 161476283
4-[3-[(4-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59466442

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one?
The IUPAC name of (3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one (CID 58238319) is (3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for (3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one is O=C1[C@H](O)CCN1c1ccc(S(=O)(=O)Cc2nccs2)cc1.
What is the InChIKey of (3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one?
The InChIKey is YMHJUKVTKUDNAL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H14N2O4S2/c17-12-5-7-16(14(12)18)10-1-3-11(4-2-10)22(19,20)9-13-15-6-8-21-13/h1-4,6,8,12,17H,5,7,9H2/t12-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one?
(3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one has a molecular weight of 338.41 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 58238319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).