3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide

C12H20N2O4S — CID 103767593

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NCCSCCCO
InChIInChI=1S/C12H20N2O4S/c15-7-1-8-19-9-5-13-10(16)4-6-14-11(17)2-3-12(14)18/h15H,1-9H2,(H,13,16)
InChIKeyCSMSRADIYXSXJH-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.24
Rot. Bonds9

About 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide (PubChem CID 103767593) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide
PubChem CID103767593
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NCCSCCCO
InChIInChI=1S/C12H20N2O4S/c15-7-1-8-19-9-5-13-10(16)4-6-14-11(17)2-3-12(14)18/h15H,1-9H2,(H,13,16)
InChIKeyCSMSRADIYXSXJH-UHFFFAOYSA-N
XLogP-0.24
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-hydroxypropylsulfanyl)ethyl]piperidine-2,6-dione
CID 106305045
6-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]hexanoic acid
CID 43352928
3-(2,5-dioxopyrrolidin-1-yl)-N-(8-oxooctyl)propanamide
CID 173035040
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide
CID 103767537
N-[2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]-6,6-diformamidohexanamide
CID 173041164
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 103800672
N-butyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 17035020
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-phenylpropanamide
CID 103767427
N-(cyclopropylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 47021847
2-(ethylamino)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
CID 106310997
4-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide
CID 106310917
N-(2,2-difluoro-3-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 104857888

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide (CID 103767593) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide is O=C(CCN1C(=O)CCC1=O)NCCSCCCO.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide?
The InChIKey is CSMSRADIYXSXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c15-7-1-8-19-9-5-13-10(16)4-6-14-11(17)2-3-12(14)18/h15H,1-9H2,(H,13,16).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide has a molecular weight of 288.37 g/mol, XLogP of -0.24, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide is sourced from PubChem (CID 103767593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).