(3S)-1-[(2R)-3-ethylsulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(methylamino)pyrrolidin-2-one

C14H25N3O3S — CID 58677294

IUPAC(3S)-1-[(2R)-3-ethylsulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(methylamino)pyrrolidin-2-one
SMILESCCSC[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NC)C1=O
InChIInChI=1S/C14H25N3O3S/c1-3-21-10-12(14(19)16-6-8-20-9-7-16)17-5-4-11(15-2)13(17)18/h11-12,15H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyUZCNJBNHRBPHJQ-RYUDHWBXSA-N
MW315.44 g/mol
LogP-0.21
Rot. Bonds6

About (3S)-1-[(2R)-3-ethylsulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(methylamino)pyrrolidin-2-one

(3S)-1-[(2R)-3-ethylsulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(methylamino)pyrrolidin-2-one (PubChem CID 58677294) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is (3S)-1-[(2R)-3-ethylsulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(methylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-[(2R)-3-ethylsulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(methylamino)pyrrolidin-2-one
PubChem CID58677294
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name(3S)-1-[(2R)-3-ethylsulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(methylamino)pyrrolidin-2-one
SMILESCCSC[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NC)C1=O
InChIInChI=1S/C14H25N3O3S/c1-3-21-10-12(14(19)16-6-8-20-9-7-16)17-5-4-11(15-2)13(17)18/h11-12,15H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyUZCNJBNHRBPHJQ-RYUDHWBXSA-N
XLogP-0.21
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2R)-3-ethylsulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(methylamino)pyrrolidin-2-one?
The IUPAC name of (3S)-1-[(2R)-3-ethylsulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(methylamino)pyrrolidin-2-one (CID 58677294) is (3S)-1-[(2R)-3-ethylsulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(methylamino)pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-[(2R)-3-ethylsulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(methylamino)pyrrolidin-2-one?
The canonical SMILES for (3S)-1-[(2R)-3-ethylsulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(methylamino)pyrrolidin-2-one is CCSC[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NC)C1=O.
What is the InChIKey of (3S)-1-[(2R)-3-ethylsulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(methylamino)pyrrolidin-2-one?
The InChIKey is UZCNJBNHRBPHJQ-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-3-21-10-12(14(19)16-6-8-20-9-7-16)17-5-4-11(15-2)13(17)18/h11-12,15H,3-10H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (3S)-1-[(2R)-3-ethylsulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(methylamino)pyrrolidin-2-one?
(3S)-1-[(2R)-3-ethylsulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(methylamino)pyrrolidin-2-one has a molecular weight of 315.44 g/mol, XLogP of -0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2R)-3-ethylsulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(methylamino)pyrrolidin-2-one is sourced from PubChem (CID 58677294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).