N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide

C13H21N3O5S — CID 69056359

IUPACN-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
SMILESC=CS(=O)(=O)N[C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O
InChIInChI=1S/C13H21N3O5S/c1-3-22(19,20)14-11-4-5-16(13(11)18)10(2)12(17)15-6-8-21-9-7-15/h3,10-11,14H,1,4-9H2,2H3/t10-,11-/m0/s1
InChIKeyVAKVRDRMRFLBCR-QWRGUYRKSA-N
MW331.39 g/mol
LogP-1.10
Rot. Bonds5

About N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide

N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide (PubChem CID 69056359) has the molecular formula C13H21N3O5S and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
PubChem CID69056359
Molecular FormulaC13H21N3O5S
Molecular Weight331.39 g/mol
Exact Mass331.12
IUPAC NameN-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
SMILESC=CS(=O)(=O)N[C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O
InChIInChI=1S/C13H21N3O5S/c1-3-22(19,20)14-11-4-5-16(13(11)18)10(2)12(17)15-6-8-21-9-7-15/h3,10-11,14H,1,4-9H2,2H3/t10-,11-/m0/s1
InChIKeyVAKVRDRMRFLBCR-QWRGUYRKSA-N
XLogP-1.10
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(Z)-2-(4-chlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]prop-1-ene-1-sulfonamide
CID 69152516
2-(5-chlorothiophen-2-yl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
CID 90933936
(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(2-oxobutylamino)pyrrolidin-2-one
CID 167012021
2-(4-chlorophenyl)-2,2-difluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide
CID 58677347
2-(2,4-dichlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide
CID 58677334
5-chloro-N-[(3S)-1-(1-morpholin-4-yl-1-oxopropan-2-yl)-2-oxopyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide
CID 138692922
5-(5-chloro-1,3,4-thiadiazol-2-yl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 91037788
[(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid
CID 69153138
2-(4-chlorophenyl)-N-[1-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide
CID 90765528
[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid
CID 69153919
6-chloro-N-[1-[(2S)-1-(2-methylmorpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 91087221
2-(4-chlorophenyl)-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide
CID 58677244

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide?
The IUPAC name of N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide (CID 69056359) is N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide.
What is the SMILES notation for N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide?
The canonical SMILES for N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide is C=CS(=O)(=O)N[C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O.
What is the InChIKey of N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide?
The InChIKey is VAKVRDRMRFLBCR-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H21N3O5S/c1-3-22(19,20)14-11-4-5-16(13(11)18)10(2)12(17)15-6-8-21-9-7-15/h3,10-11,14H,1,4-9H2,2H3/t10-,11-/m0/s1.
What are the key properties of N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide?
N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide has a molecular weight of 331.39 g/mol, XLogP of -1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide is sourced from PubChem (CID 69056359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).