(1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonamide

C11H22N2O3S — CID 168680295

IUPAC(1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonamide
SMILESCCCCC(C)N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C11H22N2O3S/c1-3-4-5-9(2)13-7-10(6-11(13)14)8-17(12,15)16/h9-10H,3-8H2,1-2H3,(H2,12,15,16)
InChIKeyCAKAUBDVAXPPPN-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.70
Rot. Bonds6

About (1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonamide

(1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonamide (PubChem CID 168680295) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is (1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonamide.

Molecular Properties

Compound Name(1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonamide
PubChem CID168680295
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name(1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonamide
SMILESCCCCC(C)N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C11H22N2O3S/c1-3-4-5-9(2)13-7-10(6-11(13)14)8-17(12,15)16/h9-10H,3-8H2,1-2H3,(H2,12,15,16)
InChIKeyCAKAUBDVAXPPPN-UHFFFAOYSA-N
XLogP0.70
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2S)-1-hydroxypropan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680344
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide
CID 168680649
2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]octanoic acid
CID 168680298
[5-oxo-1-(4-phenylbutan-2-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168680206
(2S)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
CID 168680303
(2R,3S)-3-methyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
CID 168680118
(1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
CID 168674784
(1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl chloride
CID 168672525
[1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680220
[1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680182
1-hexan-2-yl-4-sulfanylpyrrolidin-2-one
CID 168707704
[1-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680284

Frequently Asked Questions

What is the IUPAC name of (1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonamide?
The IUPAC name of (1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonamide (CID 168680295) is (1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonamide.
What is the SMILES notation for (1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonamide?
The canonical SMILES for (1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonamide is CCCCC(C)N1CC(CS(N)(=O)=O)CC1=O.
What is the InChIKey of (1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonamide?
The InChIKey is CAKAUBDVAXPPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-3-4-5-9(2)13-7-10(6-11(13)14)8-17(12,15)16/h9-10H,3-8H2,1-2H3,(H2,12,15,16).
What are the key properties of (1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonamide?
(1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonamide has a molecular weight of 262.37 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonamide is sourced from PubChem (CID 168680295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).