6-(2,5-dioxo-3-propylsulfanylpyrrolidin-1-yl)-N-pentylhexanamide;molecular hydrogen

C18H34N2O3S — CID 144887232

IUPAC6-(2,5-dioxo-3-propylsulfanylpyrrolidin-1-yl)-N-pentylhexanamide;molecular hydrogen
SMILESCCCCCNC(=O)CCCCCN1C(=O)CC(SCCC)C1=O.[H][H]
InChIInChI=1S/C18H32N2O3S.H2/c1-3-5-8-11-19-16(21)10-7-6-9-12-20-17(22)14-15(18(20)23)24-13-4-2;/h15H,3-14H2,1-2H3,(H,19,21);1H
InChIKeyQHAXUIRJWMYBKE-UHFFFAOYSA-N
MW358.55 g/mol
LogP3.37
Rot. Bonds13

About 6-(2,5-dioxo-3-propylsulfanylpyrrolidin-1-yl)-N-pentylhexanamide;molecular hydrogen

6-(2,5-dioxo-3-propylsulfanylpyrrolidin-1-yl)-N-pentylhexanamide;molecular hydrogen (PubChem CID 144887232) has the molecular formula C18H34N2O3S and a molecular weight of 358.55 g/mol. Its IUPAC name is 6-(2,5-dioxo-3-propylsulfanylpyrrolidin-1-yl)-N-pentylhexanamide;molecular hydrogen.

Molecular Properties

Compound Name6-(2,5-dioxo-3-propylsulfanylpyrrolidin-1-yl)-N-pentylhexanamide;molecular hydrogen
PubChem CID144887232
Molecular FormulaC18H34N2O3S
Molecular Weight358.55 g/mol
Exact Mass358.23
IUPAC Name6-(2,5-dioxo-3-propylsulfanylpyrrolidin-1-yl)-N-pentylhexanamide;molecular hydrogen
SMILESCCCCCNC(=O)CCCCCN1C(=O)CC(SCCC)C1=O.[H][H]
InChIInChI=1S/C18H32N2O3S.H2/c1-3-5-8-11-19-16(21)10-7-6-9-12-20-17(22)14-15(18(20)23)24-13-4-2;/h15H,3-14H2,1-2H3,(H,19,21);1H
InChIKeyQHAXUIRJWMYBKE-UHFFFAOYSA-N
XLogP3.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 53.37
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

N,N'-dihexylheptanediamide;heptane;1-hexoxyhexane;[6-(hexylamino)-6-oxohexyl] N-hexylcarbamate;N-hexylheptanamide;N-hexylhexan-1-amine;hexyl N-hexylcarbamate;N-hexyl-6-(3-hexylsulfanyl-2,5-dioxopyrrolidin-1-yl)hexanamide;N-hexyl-7-oxotridecanamide;3-hexylsulfanyl-1-(6-oxododecyl)pyrrolidine-2,5-dione;6-oxododecyl N-hexylcarbamate;tridecan-7-one
CID 167677672
4-(2,5-dioxo-3-propylsulfanylpyrrolidin-1-yl)butanoic acid
CID 137398423
3-[2-[6-[2,5-dioxo-3-[3-oxo-3-(pentylamino)propyl]sulfanylpyrrolidin-1-yl]-4-oxohexoxy]ethoxy]-N-pentylpropanamide
CID 158910983
3-ethylsulfanyl-1-heptylpyrrolidine-2,5-dione
CID 142573295
3-(3-butylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-(2-dimethylphosphanylethyl)propanamide;ethane
CID 145127902
N-[2-(methylamino)ethyl]-6-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)hexanamide
CID 118491544
3-(2-aminoethylsulfanyl)-1-nonylpyrrolidine-2,5-dione
CID 512847
N-(2-tert-butylphosphanylethyl)-6-[3-(3-deuterio-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]hexanamide
CID 126556143
6-[3-[2-(5-aminopentylamino)-2-oxoethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]hexanoyl fluoride
CID 154975677
N-[2-[3-(4-imino-5-methylhexyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]pentanamide
CID 154988251
N-(3-methylbutyl)-3-[3-(7-methyloctylsulfanyl)-2,5-dioxopyrrolidin-1-yl]propanamide
CID 139318601
N-[3-(ethylamino)propyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 148839265

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxo-3-propylsulfanylpyrrolidin-1-yl)-N-pentylhexanamide;molecular hydrogen?
The IUPAC name of 6-(2,5-dioxo-3-propylsulfanylpyrrolidin-1-yl)-N-pentylhexanamide;molecular hydrogen (CID 144887232) is 6-(2,5-dioxo-3-propylsulfanylpyrrolidin-1-yl)-N-pentylhexanamide;molecular hydrogen.
What is the SMILES notation for 6-(2,5-dioxo-3-propylsulfanylpyrrolidin-1-yl)-N-pentylhexanamide;molecular hydrogen?
The canonical SMILES for 6-(2,5-dioxo-3-propylsulfanylpyrrolidin-1-yl)-N-pentylhexanamide;molecular hydrogen is CCCCCNC(=O)CCCCCN1C(=O)CC(SCCC)C1=O.[H][H].
What is the InChIKey of 6-(2,5-dioxo-3-propylsulfanylpyrrolidin-1-yl)-N-pentylhexanamide;molecular hydrogen?
The InChIKey is QHAXUIRJWMYBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3S.H2/c1-3-5-8-11-19-16(21)10-7-6-9-12-20-17(22)14-15(18(20)23)24-13-4-2;/h15H,3-14H2,1-2H3,(H,19,21);1H.
What are the key properties of 6-(2,5-dioxo-3-propylsulfanylpyrrolidin-1-yl)-N-pentylhexanamide;molecular hydrogen?
6-(2,5-dioxo-3-propylsulfanylpyrrolidin-1-yl)-N-pentylhexanamide;molecular hydrogen has a molecular weight of 358.55 g/mol, XLogP of 3.37, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxo-3-propylsulfanylpyrrolidin-1-yl)-N-pentylhexanamide;molecular hydrogen is sourced from PubChem (CID 144887232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).