(5S)-5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-(thiophen-2-ylmethyl)pyrrolidin-2-one

C16H22N2O3S — CID 95739109

IUPAC(5S)-5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
SMILESC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2Cc2cccs2)C[C@H](C)O1
InChIInChI=1S/C16H22N2O3S/c1-11-8-17(9-12(2)21-11)16(20)14-5-6-15(19)18(14)10-13-4-3-7-22-13/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3/t11-,12+,14-/m0/s1
InChIKeyXLGPSPJVQUAMHT-SCRDCRAPSA-N
MW322.43 g/mol
LogP1.87
Rot. Bonds3

About (5S)-5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-(thiophen-2-ylmethyl)pyrrolidin-2-one

(5S)-5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-(thiophen-2-ylmethyl)pyrrolidin-2-one (PubChem CID 95739109) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is (5S)-5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-(thiophen-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
PubChem CID95739109
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name(5S)-5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
SMILESC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2Cc2cccs2)C[C@H](C)O1
InChIInChI=1S/C16H22N2O3S/c1-11-8-17(9-12(2)21-11)16(20)14-5-6-15(19)18(14)10-13-4-3-7-22-13/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3/t11-,12+,14-/m0/s1
InChIKeyXLGPSPJVQUAMHT-SCRDCRAPSA-N
XLogP1.87
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S)-5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-(thiophen-2-ylmethyl)pyrrolidin-2-one with MolForge

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Related Compounds

(5R)-5-(morpholine-4-carbonyl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
CID 1477413
(5R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 100802705
(2S)-N,N-dimethyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 1477416
(5R)-5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-one
CID 95739483
(5R)-5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-one
CID 100802952
N-[(2-methylphenyl)methyl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 56730994
(2R)-N-benzyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739125
N-(4-methoxyphenyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 4679189
1-benzyl-5-(2-methylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 110631322
(5R,6R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-6-thiophen-2-ylpiperidin-2-one
CID 124853509
(2S)-N-[3-(dimethylamino)propyl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739080
5-oxo-N-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 56731000

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-(thiophen-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of (5S)-5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-(thiophen-2-ylmethyl)pyrrolidin-2-one (CID 95739109) is (5S)-5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-(thiophen-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-(thiophen-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-(thiophen-2-ylmethyl)pyrrolidin-2-one is C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2Cc2cccs2)C[C@H](C)O1.
What is the InChIKey of (5S)-5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-(thiophen-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is XLGPSPJVQUAMHT-SCRDCRAPSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-11-8-17(9-12(2)21-11)16(20)14-5-6-15(19)18(14)10-13-4-3-7-22-13/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3/t11-,12+,14-/m0/s1.
What are the key properties of (5S)-5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-(thiophen-2-ylmethyl)pyrrolidin-2-one?
(5S)-5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-(thiophen-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 322.43 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-(thiophen-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 95739109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).