[1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide

C16H24N2O4S — CID 168680220

IUPAC[1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCc1cccc(C)c1OCC(C)N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C16H24N2O4S/c1-11-5-4-6-12(2)16(11)22-9-13(3)18-8-14(7-15(18)19)10-23(17,20)21/h4-6,13-14H,7-10H2,1-3H3,(H2,17,20,21)
InChIKeyVFOUWVBUOOYPDB-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.21
Rot. Bonds6

About [1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168680220) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is [1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168680220
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name[1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCc1cccc(C)c1OCC(C)N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C16H24N2O4S/c1-11-5-4-6-12(2)16(11)22-9-13(3)18-8-14(7-15(18)19)10-23(17,20)21/h4-6,13-14H,7-10H2,1-3H3,(H2,17,20,21)
InChIKeyVFOUWVBUOOYPDB-UHFFFAOYSA-N
XLogP1.21
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 168695656
[5-oxo-1-(4-phenylbutan-2-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168680206
[1-[(2S)-1-hydroxypropan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680344
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide
CID 168680649
(1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonamide
CID 168680295
[1-(2,3-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681682
[1-[1-(2,5-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680227
[5-oxo-1-(3-propan-2-ylphenyl)pyrrolidin-3-yl]methanesulfonamide
CID 168680676
[1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680182
3-(3-methylphenyl)-3-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]propanoic acid
CID 168680363
(2R,3S)-3-methyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
CID 168680118
2-(3-methoxyphenyl)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetic acid
CID 168680334

Frequently Asked Questions

What is the IUPAC name of [1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168680220) is [1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide is Cc1cccc(C)c1OCC(C)N1CC(CS(N)(=O)=O)CC1=O.
What is the InChIKey of [1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is VFOUWVBUOOYPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-11-5-4-6-12(2)16(11)22-9-13(3)18-8-14(7-15(18)19)10-23(17,20)21/h4-6,13-14H,7-10H2,1-3H3,(H2,17,20,21).
What are the key properties of [1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 340.45 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168680220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).