5-(3-butylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpentanamide

C14H24N2O3S — CID 20760751

IUPAC5-(3-butylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpentanamide
SMILESCCCCSC1CC(=O)N(CCCCC(=O)NC)C1=O
InChIInChI=1S/C14H24N2O3S/c1-3-4-9-20-11-10-13(18)16(14(11)19)8-6-5-7-12(17)15-2/h11H,3-10H2,1-2H3,(H,15,17)
InChIKeyJTTKWTIUVLTYRE-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.56
Rot. Bonds9

About 5-(3-butylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpentanamide

5-(3-butylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpentanamide (PubChem CID 20760751) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 5-(3-butylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpentanamide.

Molecular Properties

Compound Name5-(3-butylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpentanamide
PubChem CID20760751
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name5-(3-butylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpentanamide
SMILESCCCCSC1CC(=O)N(CCCCC(=O)NC)C1=O
InChIInChI=1S/C14H24N2O3S/c1-3-4-9-20-11-10-13(18)16(14(11)19)8-6-5-7-12(17)15-2/h11H,3-10H2,1-2H3,(H,15,17)
InChIKeyJTTKWTIUVLTYRE-UHFFFAOYSA-N
XLogP1.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.56
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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Related Compounds

2-[(3R,4R)-1-butyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-methylacetamide
CID 46902749
(5S)-5-(propylsulfanylmethyl)pyrrolidin-2-one
CID 56672999
(5S)-5-(hexylsulfanylmethyl)pyrrolidin-2-one
CID 56666095
3-[(2-Aminoethyl)sulfanyl]-1-ethylpyrrolidine-2,5-dione
CID 43638417
3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpropanamide
CID 134840045
6-[3-[6-(5-Aminopentylamino)-6-oxohexyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]hexanoyl fluoride
CID 142587885
6-[3-[2-(5-Aminopentylamino)-2-oxoethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]hexanoyl fluoride
CID 154975677
3-(2-Aminoethylthio)-1-nonylpyrrolidine-2,5-dione
CID 512847
3-[(2-Aminoethyl)thio]-3-methyl-1-nonylpyrrolidine-2,5-dione
CID 512861
S-(2-acetamidoethyl) 2-(1-methylpyrrolidin-2-yl)(114C)ethanethioate
CID 101691171
5-Methylsulfanyl-4-(2-oxopyrrolidin-1-yl)pentanamide
CID 21053781
3-(2-Aminoethylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43638414

Frequently Asked Questions

What is the IUPAC name of 5-(3-butylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpentanamide?
The IUPAC name of 5-(3-butylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpentanamide (CID 20760751) is 5-(3-butylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpentanamide.
What is the SMILES notation for 5-(3-butylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpentanamide?
The canonical SMILES for 5-(3-butylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpentanamide is CCCCSC1CC(=O)N(CCCCC(=O)NC)C1=O.
What is the InChIKey of 5-(3-butylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpentanamide?
The InChIKey is JTTKWTIUVLTYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-3-4-9-20-11-10-13(18)16(14(11)19)8-6-5-7-12(17)15-2/h11H,3-10H2,1-2H3,(H,15,17).
What are the key properties of 5-(3-butylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpentanamide?
5-(3-butylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpentanamide has a molecular weight of 300.42 g/mol, XLogP of 1.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-butylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpentanamide is sourced from PubChem (CID 20760751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).