1-[(2S)-4-methylsulfonyl-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one

C13H22N2O5S — CID 142905686

IUPAC1-[(2S)-4-methylsulfonyl-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one
SMILESCS(=O)(=O)CC[C@@H](C(=O)N1CCOCC1)N1CCCC1=O
InChIInChI=1S/C13H22N2O5S/c1-21(18,19)10-4-11(15-5-2-3-12(15)16)13(17)14-6-8-20-9-7-14/h11H,2-10H2,1H3/t11-/m0/s1
InChIKeyIKBMTIMZXBPQOC-NSHDSACASA-N
MW318.40 g/mol
LogP-0.73
Rot. Bonds5

About 1-[(2S)-4-methylsulfonyl-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one

1-[(2S)-4-methylsulfonyl-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one (PubChem CID 142905686) has the molecular formula C13H22N2O5S and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-[(2S)-4-methylsulfonyl-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-4-methylsulfonyl-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one
PubChem CID142905686
Molecular FormulaC13H22N2O5S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name1-[(2S)-4-methylsulfonyl-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one
SMILESCS(=O)(=O)CC[C@@H](C(=O)N1CCOCC1)N1CCCC1=O
InChIInChI=1S/C13H22N2O5S/c1-21(18,19)10-4-11(15-5-2-3-12(15)16)13(17)14-6-8-20-9-7-14/h11H,2-10H2,1H3/t11-/m0/s1
InChIKeyIKBMTIMZXBPQOC-NSHDSACASA-N
XLogP-0.73
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 5-0.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-4-methylsulfonyl-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one with MolForge

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Related Compounds

2-(4-methylsulfonyl-1-morpholin-4-yl-1-oxobutan-2-yl)-3H-isoindol-1-one
CID 20905838
5,6-dichloro-2-[(2R)-4-methylsulfonyl-1-morpholin-4-yl-1-oxobutan-2-yl]isoindole-1,3-dione
CID 2204364
1-[2-(2-oxopyrrolidin-1-yl)pentanoyl]imidazolidin-4-one
CID 70433877
4-methylsulfanyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 14835914
2-(3-methylsulfonylpropylamino)-1-morpholin-4-ylpropan-1-one
CID 54905141
1-(2-morpholin-4-yl-2-oxo-1-pyridin-3-ylethyl)pyrrolidin-2-one
CID 71083509
2-(2-oxopyrrolidin-1-yl)butanamide;propane
CID 154648377
N-cyclopentyl-1-[2-(2-oxopyrrolidin-1-yl)butanoyl]piperidine-3-sulfonamide
CID 127802994
1-[(2S)-1-[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]piperidin-2-one
CID 98787422
amino 2-(2-oxopyrrolidin-1-yl)pentanoate
CID 90161932
1-[(2R)-1-oxo-1-(4-phenylpiperidin-1-yl)butan-2-yl]pyrrolidin-2-one
CID 95776826
1-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxobutan-2-yl]pyrrolidin-2-one;hydrochloride
CID 119636602

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-methylsulfonyl-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(2S)-4-methylsulfonyl-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one (CID 142905686) is 1-[(2S)-4-methylsulfonyl-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2S)-4-methylsulfonyl-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2S)-4-methylsulfonyl-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one is CS(=O)(=O)CC[C@@H](C(=O)N1CCOCC1)N1CCCC1=O.
What is the InChIKey of 1-[(2S)-4-methylsulfonyl-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one?
The InChIKey is IKBMTIMZXBPQOC-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N2O5S/c1-21(18,19)10-4-11(15-5-2-3-12(15)16)13(17)14-6-8-20-9-7-14/h11H,2-10H2,1H3/t11-/m0/s1.
What are the key properties of 1-[(2S)-4-methylsulfonyl-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one?
1-[(2S)-4-methylsulfonyl-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one has a molecular weight of 318.40 g/mol, XLogP of -0.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-methylsulfonyl-1-morpholin-4-yl-1-oxobutan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 142905686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).