2-[(3R,4R)-1-cyclohexyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-methylacetamide

C15H26N2O2S — CID 46902748

IUPAC2-[(3R,4R)-1-cyclohexyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-methylacetamide
SMILESCNC(=O)C[C@H]1C(=O)N(C2CCCCC2)C[C@@H]1CSC
InChIInChI=1S/C15H26N2O2S/c1-16-14(18)8-13-11(10-20-2)9-17(15(13)19)12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3,(H,16,18)/t11-,13-/m1/s1
InChIKeyIAYXMEQYDSMRLZ-DGCLKSJQSA-N
MW298.45 g/mol
LogP1.89
Rot. Bonds5

About 2-[(3R,4R)-1-cyclohexyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-methylacetamide

2-[(3R,4R)-1-cyclohexyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-methylacetamide (PubChem CID 46902748) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 2-[(3R,4R)-1-cyclohexyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3R,4R)-1-cyclohexyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-methylacetamide
PubChem CID46902748
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name2-[(3R,4R)-1-cyclohexyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-methylacetamide
SMILESCNC(=O)C[C@H]1C(=O)N(C2CCCCC2)C[C@@H]1CSC
InChIInChI=1S/C15H26N2O2S/c1-16-14(18)8-13-11(10-20-2)9-17(15(13)19)12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3,(H,16,18)/t11-,13-/m1/s1
InChIKeyIAYXMEQYDSMRLZ-DGCLKSJQSA-N
XLogP1.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R,4R)-1-butyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-methylacetamide
CID 46902749
2-[(3R,4R)-1-cyclohexyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide
CID 46902923
2-[(3S)-1-cyclohexyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide
CID 46903032
2-[1-cyclohexyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-methylacetamide
CID 75248247
N-[1-(cyclohexylmethyl)-5-oxo-3-pyrrolidinyl]-2-(methylthio)acetamide
CID 45225487
3-(Acetamidomethylsulfanyl)-2-(2-oxo-4-propylpyrrolidin-1-yl)propanamide
CID 22387123
N-methyl-4-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxamide
CID 59428961
N-[[3-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]methyl]acetamide
CID 59811736
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-(7-Azabicyclo[2.2.1]heptan-7-yl)-2-methylsulfanyl-2-piperidin-4-ylethanone
CID 68236349

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-1-cyclohexyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of 2-[(3R,4R)-1-cyclohexyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-methylacetamide (CID 46902748) is 2-[(3R,4R)-1-cyclohexyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(3R,4R)-1-cyclohexyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[(3R,4R)-1-cyclohexyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-methylacetamide is CNC(=O)C[C@H]1C(=O)N(C2CCCCC2)C[C@@H]1CSC.
What is the InChIKey of 2-[(3R,4R)-1-cyclohexyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is IAYXMEQYDSMRLZ-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-16-14(18)8-13-11(10-20-2)9-17(15(13)19)12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3,(H,16,18)/t11-,13-/m1/s1.
What are the key properties of 2-[(3R,4R)-1-cyclohexyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-methylacetamide?
2-[(3R,4R)-1-cyclohexyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 298.45 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-1-cyclohexyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 46902748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).