N-(2-butan-2-ylsulfanylethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide

C14H24N2O3S — CID 70984812

IUPACN-(2-butan-2-ylsulfanylethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCCC(C)SCCNC(=O)CCN1C(=O)CC(C)C1=O
InChIInChI=1S/C14H24N2O3S/c1-4-11(3)20-8-6-15-12(17)5-7-16-13(18)9-10(2)14(16)19/h10-11H,4-9H2,1-3H3,(H,15,17)
InChIKeyZRWNMYGATNRMIR-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.42
Rot. Bonds8

About N-(2-butan-2-ylsulfanylethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide

N-(2-butan-2-ylsulfanylethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 70984812) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-(2-butan-2-ylsulfanylethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-butan-2-ylsulfanylethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID70984812
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-(2-butan-2-ylsulfanylethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCCC(C)SCCNC(=O)CCN1C(=O)CC(C)C1=O
InChIInChI=1S/C14H24N2O3S/c1-4-11(3)20-8-6-15-12(17)5-7-16-13(18)9-10(2)14(16)19/h10-11H,4-9H2,1-3H3,(H,15,17)
InChIKeyZRWNMYGATNRMIR-UHFFFAOYSA-N
XLogP1.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylsulfanylethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-(2-butan-2-ylsulfanylethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide (CID 70984812) is N-(2-butan-2-ylsulfanylethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(2-butan-2-ylsulfanylethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(2-butan-2-ylsulfanylethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide is CCC(C)SCCNC(=O)CCN1C(=O)CC(C)C1=O.
What is the InChIKey of N-(2-butan-2-ylsulfanylethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is ZRWNMYGATNRMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-4-11(3)20-8-6-15-12(17)5-7-16-13(18)9-10(2)14(16)19/h10-11H,4-9H2,1-3H3,(H,15,17).
What are the key properties of N-(2-butan-2-ylsulfanylethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
N-(2-butan-2-ylsulfanylethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 300.42 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylsulfanylethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 70984812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).