2-[2-[2-[(3R)-3-ethyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide;molecular hydrogen

C12H23N3O4S — CID 153346697

IUPAC2-[2-[2-[(3R)-3-ethyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide;molecular hydrogen
SMILESCC[C@@H]1CC(=O)N(CCNC(=O)CSCC(N)=O)C1=O.[H][H].[H][H]
InChIInChI=1S/C12H19N3O4S.2H2/c1-2-8-5-11(18)15(12(8)19)4-3-14-10(17)7-20-6-9(13)16;;/h8H,2-7H2,1H3,(H2,13,16)(H,14,17);2*1H/t8-;;/m1../s1
InChIKeyQNOQUMBYAUPYPB-YCBDHFTFSA-N
MW305.40 g/mol
LogP-0.40
Rot. Bonds8

About 2-[2-[2-[(3R)-3-ethyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide;molecular hydrogen

2-[2-[2-[(3R)-3-ethyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide;molecular hydrogen (PubChem CID 153346697) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[2-[2-[(3R)-3-ethyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide;molecular hydrogen.

Molecular Properties

Compound Name2-[2-[2-[(3R)-3-ethyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide;molecular hydrogen
PubChem CID153346697
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC Name2-[2-[2-[(3R)-3-ethyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide;molecular hydrogen
SMILESCC[C@@H]1CC(=O)N(CCNC(=O)CSCC(N)=O)C1=O.[H][H].[H][H]
InChIInChI=1S/C12H19N3O4S.2H2/c1-2-8-5-11(18)15(12(8)19)4-3-14-10(17)7-20-6-9(13)16;;/h8H,2-7H2,1H3,(H2,13,16)(H,14,17);2*1H/t8-;;/m1../s1
InChIKeyQNOQUMBYAUPYPB-YCBDHFTFSA-N
XLogP-0.40
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(3R)-3-ethyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide;molecular hydrogen?
The IUPAC name of 2-[2-[2-[(3R)-3-ethyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide;molecular hydrogen (CID 153346697) is 2-[2-[2-[(3R)-3-ethyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide;molecular hydrogen.
What is the SMILES notation for 2-[2-[2-[(3R)-3-ethyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide;molecular hydrogen?
The canonical SMILES for 2-[2-[2-[(3R)-3-ethyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide;molecular hydrogen is CC[C@@H]1CC(=O)N(CCNC(=O)CSCC(N)=O)C1=O.[H][H].[H][H].
What is the InChIKey of 2-[2-[2-[(3R)-3-ethyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide;molecular hydrogen?
The InChIKey is QNOQUMBYAUPYPB-YCBDHFTFSA-N. The full InChI is InChI=1S/C12H19N3O4S.2H2/c1-2-8-5-11(18)15(12(8)19)4-3-14-10(17)7-20-6-9(13)16;;/h8H,2-7H2,1H3,(H2,13,16)(H,14,17);2*1H/t8-;;/m1../s1.
What are the key properties of 2-[2-[2-[(3R)-3-ethyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide;molecular hydrogen?
2-[2-[2-[(3R)-3-ethyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide;molecular hydrogen has a molecular weight of 305.40 g/mol, XLogP of -0.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(3R)-3-ethyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide;molecular hydrogen is sourced from PubChem (CID 153346697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).