N-methyl-11-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)undecanamide

C17H30N2O3S — CID 58520719

IUPACN-methyl-11-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)undecanamide
SMILESCNC(=O)CCCCCCCCCCN1C(=O)CC(SC)C1=O
InChIInChI=1S/C17H30N2O3S/c1-18-15(20)11-9-7-5-3-4-6-8-10-12-19-16(21)13-14(23-2)17(19)22/h14H,3-13H2,1-2H3,(H,18,20)
InChIKeyFUVRUJLAGAPNAS-UHFFFAOYSA-N
MW342.51 g/mol
LogP2.73
Rot. Bonds12

About N-methyl-11-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)undecanamide

N-methyl-11-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)undecanamide (PubChem CID 58520719) has the molecular formula C17H30N2O3S and a molecular weight of 342.51 g/mol. Its IUPAC name is N-methyl-11-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)undecanamide.

Molecular Properties

Compound NameN-methyl-11-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)undecanamide
PubChem CID58520719
Molecular FormulaC17H30N2O3S
Molecular Weight342.51 g/mol
Exact Mass342.20
IUPAC NameN-methyl-11-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)undecanamide
SMILESCNC(=O)CCCCCCCCCCN1C(=O)CC(SC)C1=O
InChIInChI=1S/C17H30N2O3S/c1-18-15(20)11-9-7-5-3-4-6-8-10-12-19-16(21)13-14(23-2)17(19)22/h14H,3-13H2,1-2H3,(H,18,20)
InChIKeyFUVRUJLAGAPNAS-UHFFFAOYSA-N
XLogP2.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 52.73
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-methyl-11-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)undecanamide?
The IUPAC name of N-methyl-11-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)undecanamide (CID 58520719) is N-methyl-11-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)undecanamide.
What is the SMILES notation for N-methyl-11-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)undecanamide?
The canonical SMILES for N-methyl-11-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)undecanamide is CNC(=O)CCCCCCCCCCN1C(=O)CC(SC)C1=O.
What is the InChIKey of N-methyl-11-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)undecanamide?
The InChIKey is FUVRUJLAGAPNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3S/c1-18-15(20)11-9-7-5-3-4-6-8-10-12-19-16(21)13-14(23-2)17(19)22/h14H,3-13H2,1-2H3,(H,18,20).
What are the key properties of N-methyl-11-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)undecanamide?
N-methyl-11-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)undecanamide has a molecular weight of 342.51 g/mol, XLogP of 2.73, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-11-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)undecanamide is sourced from PubChem (CID 58520719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).