3-propylsulfonyl-1-pyrrolidin-2-ylpropan-1-one

C10H19NO3S — CID 106736089

IUPAC3-propylsulfonyl-1-pyrrolidin-2-ylpropan-1-one
SMILESCCCS(=O)(=O)CCC(=O)C1CCCN1
InChIInChI=1S/C10H19NO3S/c1-2-7-15(13,14)8-5-10(12)9-4-3-6-11-9/h9,11H,2-8H2,1H3
InChIKeyPHUZATJUQGNYIH-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.52
Rot. Bonds6

About 3-propylsulfonyl-1-pyrrolidin-2-ylpropan-1-one

3-propylsulfonyl-1-pyrrolidin-2-ylpropan-1-one (PubChem CID 106736089) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 3-propylsulfonyl-1-pyrrolidin-2-ylpropan-1-one.

Molecular Properties

Compound Name3-propylsulfonyl-1-pyrrolidin-2-ylpropan-1-one
PubChem CID106736089
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name3-propylsulfonyl-1-pyrrolidin-2-ylpropan-1-one
SMILESCCCS(=O)(=O)CCC(=O)C1CCCN1
InChIInChI=1S/C10H19NO3S/c1-2-7-15(13,14)8-5-10(12)9-4-3-6-11-9/h9,11H,2-8H2,1H3
InChIKeyPHUZATJUQGNYIH-UHFFFAOYSA-N
XLogP0.52
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethylsulfonyl-1-piperidin-2-ylpropan-1-one
CID 106736095
1-pyrrolidin-2-ylbutan-1-one
CID 54066710
4-ethylsulfonyl-1-piperidin-2-ylbutan-1-one
CID 116547815
1-[(2S)-pyrrolidin-2-yl]heptadecan-1-one
CID 90355847
1-(4-methylpyrrolidin-3-yl)-3-propylsulfonylpropan-1-one
CID 106736437
2-propoxy-1-pyrrolidin-2-ylethanone
CID 116547460
1-[(2S)-pyrrolidin-2-yl]pent-4-yn-1-one
CID 165468100
(2S)-N-methyl-N-propylpyrrolidine-2-carboxamide
CID 54558702
(2S)-N-propan-2-yl-N-propylpyrrolidine-2-carboxamide
CID 61156228
2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119510423
N-(2-methylpiperidin-3-yl)-2-propylsulfonylacetamide
CID 120577111
1-[(2S)-pyrrolidin-2-yl]propan-1-one;2,2,2-trifluoroacetic acid
CID 46863476

Frequently Asked Questions

What is the IUPAC name of 3-propylsulfonyl-1-pyrrolidin-2-ylpropan-1-one?
The IUPAC name of 3-propylsulfonyl-1-pyrrolidin-2-ylpropan-1-one (CID 106736089) is 3-propylsulfonyl-1-pyrrolidin-2-ylpropan-1-one.
What is the SMILES notation for 3-propylsulfonyl-1-pyrrolidin-2-ylpropan-1-one?
The canonical SMILES for 3-propylsulfonyl-1-pyrrolidin-2-ylpropan-1-one is CCCS(=O)(=O)CCC(=O)C1CCCN1.
What is the InChIKey of 3-propylsulfonyl-1-pyrrolidin-2-ylpropan-1-one?
The InChIKey is PHUZATJUQGNYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-2-7-15(13,14)8-5-10(12)9-4-3-6-11-9/h9,11H,2-8H2,1H3.
What are the key properties of 3-propylsulfonyl-1-pyrrolidin-2-ylpropan-1-one?
3-propylsulfonyl-1-pyrrolidin-2-ylpropan-1-one has a molecular weight of 233.33 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylsulfonyl-1-pyrrolidin-2-ylpropan-1-one is sourced from PubChem (CID 106736089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).