3-(2,5-dioxopyrrol-1-yl)-N-(2-sulfanylpropyl)propanamide

C10H14N2O3S — CID 135303547

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-(2-sulfanylpropyl)propanamide
SMILESCC(S)CNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H14N2O3S/c1-7(16)6-11-8(13)4-5-12-9(14)2-3-10(12)15/h2-3,7,16H,4-6H2,1H3,(H,11,13)
InChIKeyDCZVPWXECXUDPP-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.26
Rot. Bonds5

About 3-(2,5-dioxopyrrol-1-yl)-N-(2-sulfanylpropyl)propanamide

3-(2,5-dioxopyrrol-1-yl)-N-(2-sulfanylpropyl)propanamide (PubChem CID 135303547) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-(2-sulfanylpropyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-(2-sulfanylpropyl)propanamide
PubChem CID135303547
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-(2-sulfanylpropyl)propanamide
SMILESCC(S)CNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H14N2O3S/c1-7(16)6-11-8(13)4-5-12-9(14)2-3-10(12)15/h2-3,7,16H,4-6H2,1H3,(H,11,13)
InChIKeyDCZVPWXECXUDPP-UHFFFAOYSA-N
XLogP-0.26
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

ethane;3-(3-methyl-2,5-dioxopyrrol-1-yl)-N-(2-sulfanylpropyl)propanamide;molecular hydrogen
CID 157026945
cyclopent-4-ene-1,3-dione;3-(2,5-dioxopyrrol-1-yl)-N-(2-methylbutyl)propanamide
CID 158686357
3-(2,5-dioxopyrrol-1-yl)-N-prop-2-ynylpropanamide
CID 10149082
N-(2-aminoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 51341002
N-(3,3-dimethylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 118446686
N-[(2R,3R,4R,5R)-6-aminooxy-2,3,4,5-tetrahydroxyhexyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 90296829
3-(2,5-dioxopyrrol-1-yl)-N-[3-(trihydroxy-λ4-sulfanyl)propyl]propanamide
CID 163893072
1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione
CID 23385993
4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]butanoic acid
CID 146519750
2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)propanamide
CID 129198548
4-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)butanamide
CID 121327484
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 51341049

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-(2-sulfanylpropyl)propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-(2-sulfanylpropyl)propanamide (CID 135303547) is 3-(2,5-dioxopyrrol-1-yl)-N-(2-sulfanylpropyl)propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-(2-sulfanylpropyl)propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-(2-sulfanylpropyl)propanamide is CC(S)CNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-(2-sulfanylpropyl)propanamide?
The InChIKey is DCZVPWXECXUDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-7(16)6-11-8(13)4-5-12-9(14)2-3-10(12)15/h2-3,7,16H,4-6H2,1H3,(H,11,13).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-(2-sulfanylpropyl)propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-(2-sulfanylpropyl)propanamide has a molecular weight of 242.30 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-(2-sulfanylpropyl)propanamide is sourced from PubChem (CID 135303547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).