5-ethylsulfonyl-1-pyrrolidin-3-ylpentan-2-one

C11H21NO3S — CID 116583438

IUPAC5-ethylsulfonyl-1-pyrrolidin-3-ylpentan-2-one
SMILESCCS(=O)(=O)CCCC(=O)CC1CCNC1
InChIInChI=1S/C11H21NO3S/c1-2-16(14,15)7-3-4-11(13)8-10-5-6-12-9-10/h10,12H,2-9H2,1H3
InChIKeyNPTYHZVVCCCZIC-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.77
Rot. Bonds7

About 5-ethylsulfonyl-1-pyrrolidin-3-ylpentan-2-one

5-ethylsulfonyl-1-pyrrolidin-3-ylpentan-2-one (PubChem CID 116583438) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 5-ethylsulfonyl-1-pyrrolidin-3-ylpentan-2-one.

Molecular Properties

Compound Name5-ethylsulfonyl-1-pyrrolidin-3-ylpentan-2-one
PubChem CID116583438
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name5-ethylsulfonyl-1-pyrrolidin-3-ylpentan-2-one
SMILESCCS(=O)(=O)CCCC(=O)CC1CCNC1
InChIInChI=1S/C11H21NO3S/c1-2-16(14,15)7-3-4-11(13)8-10-5-6-12-9-10/h10,12H,2-9H2,1H3
InChIKeyNPTYHZVVCCCZIC-UHFFFAOYSA-N
XLogP0.77
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cycloheptyl-5-ethylsulfonylpentan-2-one
CID 114974504
1-piperidin-4-ylhexan-2-one
CID 116559845
1-piperidin-4-ylundecan-2-one
CID 116559812
4-methylsulfonyl-1-piperidin-3-ylbutan-2-one
CID 116564301
1-pyrrolidin-3-ylnon-8-en-2-one
CID 107010907
3-(ethylsulfonylmethyl)pyrrolidine
CID 84656221
methyl 4-(pyrrolidin-3-ylmethylsulfamoyl)butanoate
CID 80563588
6-methylsulfonyl-1-piperidin-4-ylhexan-3-one
CID 116563332
1-pyrrolidin-3-ylhexan-3-one
CID 116605913
6,6,6-trifluoro-1-piperidin-4-ylhexan-2-one
CID 116559967
methyl 4-(piperidin-3-ylmethylsulfonyl)butanoate
CID 82182142
1-propan-2-ylsulfonyl-5-pyrrolidin-3-ylpentan-3-one
CID 106736845

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-1-pyrrolidin-3-ylpentan-2-one?
The IUPAC name of 5-ethylsulfonyl-1-pyrrolidin-3-ylpentan-2-one (CID 116583438) is 5-ethylsulfonyl-1-pyrrolidin-3-ylpentan-2-one.
What is the SMILES notation for 5-ethylsulfonyl-1-pyrrolidin-3-ylpentan-2-one?
The canonical SMILES for 5-ethylsulfonyl-1-pyrrolidin-3-ylpentan-2-one is CCS(=O)(=O)CCCC(=O)CC1CCNC1.
What is the InChIKey of 5-ethylsulfonyl-1-pyrrolidin-3-ylpentan-2-one?
The InChIKey is NPTYHZVVCCCZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-2-16(14,15)7-3-4-11(13)8-10-5-6-12-9-10/h10,12H,2-9H2,1H3.
What are the key properties of 5-ethylsulfonyl-1-pyrrolidin-3-ylpentan-2-one?
5-ethylsulfonyl-1-pyrrolidin-3-ylpentan-2-one has a molecular weight of 247.36 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-1-pyrrolidin-3-ylpentan-2-one is sourced from PubChem (CID 116583438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).