6-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-pentylhexanamide

C17H30N2O3S — CID 58520726

IUPAC6-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-pentylhexanamide
SMILESCCCCCNC(=O)CCCCCN1C(=O)CC(SCC)C1=O
InChIInChI=1S/C17H30N2O3S/c1-3-5-8-11-18-15(20)10-7-6-9-12-19-16(21)13-14(17(19)22)23-4-2/h14H,3-13H2,1-2H3,(H,18,20)
InChIKeyUSONLZJQQPINCQ-UHFFFAOYSA-N
MW342.51 g/mol
LogP2.73
Rot. Bonds12

About 6-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-pentylhexanamide

6-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-pentylhexanamide (PubChem CID 58520726) has the molecular formula C17H30N2O3S and a molecular weight of 342.51 g/mol. Its IUPAC name is 6-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-pentylhexanamide.

Molecular Properties

Compound Name6-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-pentylhexanamide
PubChem CID58520726
Molecular FormulaC17H30N2O3S
Molecular Weight342.51 g/mol
Exact Mass342.20
IUPAC Name6-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-pentylhexanamide
SMILESCCCCCNC(=O)CCCCCN1C(=O)CC(SCC)C1=O
InChIInChI=1S/C17H30N2O3S/c1-3-5-8-11-18-15(20)10-7-6-9-12-19-16(21)13-14(17(19)22)23-4-2/h14H,3-13H2,1-2H3,(H,18,20)
InChIKeyUSONLZJQQPINCQ-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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Related Compounds

(5S)-5-(hexylsulfanylmethyl)pyrrolidin-2-one
CID 56666095
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
2-ethyl-N-[2-(1-nonyl-2,5-dioxo-pyrrolidin-3-yl)sulfanylethyl]hexanamide
CID 512848
N-[2-(1-nonyl-2,5-dioxo-pyrrolidin-3-yl)sulfanylethyl]cyclopropanecarboxamide
CID 512849
N-[2-(1-nonyl-2,5-dioxo-pyrrolidin-3-yl)sulfanylethyl]cyclopentanecarboxamide
CID 512854
3-[(2-Aminoethyl)thio]-3-methyl-1-nonylpyrrolidine-2,5-dione
CID 512861
3-[(2-Aminoethyl)sulfanyl]-1-ethylpyrrolidine-2,5-dione
CID 43638417
S-(2-acetamidoethyl) 2-(1-methylpyrrolidin-2-yl)(114C)ethanethioate
CID 101691171
S-[2-[[6-(diethylamino)-6-oxohexyl]amino]-2-oxoethyl] ethanethioate
CID 11659463

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-pentylhexanamide?
The IUPAC name of 6-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-pentylhexanamide (CID 58520726) is 6-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-pentylhexanamide.
What is the SMILES notation for 6-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-pentylhexanamide?
The canonical SMILES for 6-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-pentylhexanamide is CCCCCNC(=O)CCCCCN1C(=O)CC(SCC)C1=O.
What is the InChIKey of 6-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-pentylhexanamide?
The InChIKey is USONLZJQQPINCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3S/c1-3-5-8-11-18-15(20)10-7-6-9-12-19-16(21)13-14(17(19)22)23-4-2/h14H,3-13H2,1-2H3,(H,18,20).
What are the key properties of 6-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-pentylhexanamide?
6-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-pentylhexanamide 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 6-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-pentylhexanamide is sourced from PubChem (CID 58520726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).