2-[2-[2-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide

C11H19N3O4S — CID 166506275

IUPAC2-[2-[2-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide
SMILESCNC(=O)CSCC(=O)NCCN1C[C@@H](O)CC1=O
InChIInChI=1S/C11H19N3O4S/c1-12-9(16)6-19-7-10(17)13-2-3-14-5-8(15)4-11(14)18/h8,15H,2-7H2,1H3,(H,12,16)(H,13,17)/t8-/m0/s1
InChIKeyJHCFOHNGKQTEJP-QMMMGPOBSA-N
MW289.36 g/mol
LogP-1.83
Rot. Bonds7

About 2-[2-[2-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide

2-[2-[2-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide (PubChem CID 166506275) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-[2-[2-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[2-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide
PubChem CID166506275
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name2-[2-[2-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide
SMILESCNC(=O)CSCC(=O)NCCN1C[C@@H](O)CC1=O
InChIInChI=1S/C11H19N3O4S/c1-12-9(16)6-19-7-10(17)13-2-3-14-5-8(15)4-11(14)18/h8,15H,2-7H2,1H3,(H,12,16)(H,13,17)/t8-/m0/s1
InChIKeyJHCFOHNGKQTEJP-QMMMGPOBSA-N
XLogP-1.83
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-1.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[2-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide
CID 166506326
2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide
CID 166506369
N-methyl-2-[2-oxo-2-[2-(1,1,3-trioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]sulfanylacetamide
CID 166506245
2-[2-[2-(4-methyl-2-oxopiperidin-1-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 167261146
N-[2-[di(propan-2-yl)amino]ethyl]-2-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]acetamide
CID 67942843
3-(4-hydroxy-2-oxopyrrolidin-1-yl)propanamide
CID 3052160
N-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethyl]-4-propan-2-ylsulfanylbutanamide
CID 140853433
2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopiperazin-1-yl)ethyl]acetamide
CID 167261263
methyl 2-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]acetate
CID 86316250
4-hydroxy-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
CID 168702894
4-hydroxy-1-[3-(2-hydroxyethylamino)propyl]pyrrolidin-2-one
CID 168702888
1-(2-acetamidoethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 43552674

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide?
The IUPAC name of 2-[2-[2-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide (CID 166506275) is 2-[2-[2-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide.
What is the SMILES notation for 2-[2-[2-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide?
The canonical SMILES for 2-[2-[2-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide is CNC(=O)CSCC(=O)NCCN1C[C@@H](O)CC1=O.
What is the InChIKey of 2-[2-[2-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide?
The InChIKey is JHCFOHNGKQTEJP-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-12-9(16)6-19-7-10(17)13-2-3-14-5-8(15)4-11(14)18/h8,15H,2-7H2,1H3,(H,12,16)(H,13,17)/t8-/m0/s1.
What are the key properties of 2-[2-[2-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide?
2-[2-[2-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide has a molecular weight of 289.36 g/mol, XLogP of -1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide is sourced from PubChem (CID 166506275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).