6-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide

C14H24N2O3S — CID 59656967

IUPAC6-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide
SMILESCCCNC(=O)CCCCCN1C(=O)CC(SC)C1=O
InChIInChI=1S/C14H24N2O3S/c1-3-8-15-12(17)7-5-4-6-9-16-13(18)10-11(20-2)14(16)19/h11H,3-10H2,1-2H3,(H,15,17)
InChIKeyBJTDAEMWSPCHGV-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.56
Rot. Bonds9

About 6-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide

6-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide (PubChem CID 59656967) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 6-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide.

Molecular Properties

Compound Name6-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide
PubChem CID59656967
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name6-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide
SMILESCCCNC(=O)CCCCCN1C(=O)CC(SC)C1=O
InChIInChI=1S/C14H24N2O3S/c1-3-8-15-12(17)7-5-4-6-9-16-13(18)10-11(20-2)14(16)19/h11H,3-10H2,1-2H3,(H,15,17)
InChIKeyBJTDAEMWSPCHGV-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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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide?
The IUPAC name of 6-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide (CID 59656967) is 6-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide.
What is the SMILES notation for 6-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide?
The canonical SMILES for 6-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide is CCCNC(=O)CCCCCN1C(=O)CC(SC)C1=O.
What is the InChIKey of 6-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide?
The InChIKey is BJTDAEMWSPCHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-3-8-15-12(17)7-5-4-6-9-16-13(18)10-11(20-2)14(16)19/h11H,3-10H2,1-2H3,(H,15,17).
What are the key properties of 6-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide?
6-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide 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 6-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-propylhexanamide is sourced from PubChem (CID 59656967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).