N-[[3-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]methyl]acetamide

C15H24N2O3S — CID 59811736

IUPACN-[[3-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]methyl]acetamide
SMILESCSC1CC(=O)N(CC2CCCC(CNC(C)=O)C2)C1=O
InChIInChI=1S/C15H24N2O3S/c1-10(18)16-8-11-4-3-5-12(6-11)9-17-14(19)7-13(21-2)15(17)20/h11-13H,3-9H2,1-2H3,(H,16,18)
InChIKeyFKCPOFNWEQHMGO-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.42
Rot. Bonds5

About N-[[3-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]methyl]acetamide

N-[[3-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]methyl]acetamide (PubChem CID 59811736) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[[3-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]methyl]acetamide
PubChem CID59811736
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[[3-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]methyl]acetamide
SMILESCSC1CC(=O)N(CC2CCCC(CNC(C)=O)C2)C1=O
InChIInChI=1S/C15H24N2O3S/c1-10(18)16-8-11-4-3-5-12(6-11)9-17-14(19)7-13(21-2)15(17)20/h11-13H,3-9H2,1-2H3,(H,16,18)
InChIKeyFKCPOFNWEQHMGO-UHFFFAOYSA-N
XLogP1.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[(3R,4R)-1-cyclohexyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-methylacetamide
CID 46902748
2-[(3R,4R)-1-butyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-methylacetamide
CID 46902749
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]cyclohexanecarboxamide
CID 512855
2-[1-cyclohexyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-methylacetamide
CID 75248247
N-methyl-4-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide
CID 20775159
4-[[3-(3-amino-2-methyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]methyl]-N-methylcyclohexane-1-carboxamide
CID 59119967
N-methyl-4-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxamide
CID 59428961
N-[[4-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]methyl]acetamide
CID 59811757
N-ethyl-4-[(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxamide
CID 60043189
N-methyl-4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxamide
CID 68225265
1-[3-(2-Aminoethylsulfanyl)-3-methylnonyl]pyrrolidine-2,5-dione
CID 70210114

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]methyl]acetamide?
The IUPAC name of N-[[3-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]methyl]acetamide (CID 59811736) is N-[[3-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]methyl]acetamide.
What is the SMILES notation for N-[[3-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]methyl]acetamide?
The canonical SMILES for N-[[3-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]methyl]acetamide is CSC1CC(=O)N(CC2CCCC(CNC(C)=O)C2)C1=O.
What is the InChIKey of N-[[3-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]methyl]acetamide?
The InChIKey is FKCPOFNWEQHMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-10(18)16-8-11-4-3-5-12(6-11)9-17-14(19)7-13(21-2)15(17)20/h11-13H,3-9H2,1-2H3,(H,16,18).
What are the key properties of N-[[3-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]methyl]acetamide?
N-[[3-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]methyl]acetamide has a molecular weight of 312.44 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]methyl]acetamide is sourced from PubChem (CID 59811736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).