1-(2-propylpyrrolidin-2-yl)-3-propylsulfonylpropan-1-one

C13H25NO3S — CID 106976841

IUPAC1-(2-propylpyrrolidin-2-yl)-3-propylsulfonylpropan-1-one
SMILESCCCC1(C(=O)CCS(=O)(=O)CCC)CCCN1
InChIInChI=1S/C13H25NO3S/c1-3-7-13(8-5-9-14-13)12(15)6-11-18(16,17)10-4-2/h14H,3-11H2,1-2H3
InChIKeyIXEHNDSAQMWECE-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.69
Rot. Bonds8

About 1-(2-propylpyrrolidin-2-yl)-3-propylsulfonylpropan-1-one

1-(2-propylpyrrolidin-2-yl)-3-propylsulfonylpropan-1-one (PubChem CID 106976841) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is 1-(2-propylpyrrolidin-2-yl)-3-propylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-(2-propylpyrrolidin-2-yl)-3-propylsulfonylpropan-1-one
PubChem CID106976841
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name1-(2-propylpyrrolidin-2-yl)-3-propylsulfonylpropan-1-one
SMILESCCCC1(C(=O)CCS(=O)(=O)CCC)CCCN1
InChIInChI=1S/C13H25NO3S/c1-3-7-13(8-5-9-14-13)12(15)6-11-18(16,17)10-4-2/h14H,3-11H2,1-2H3
InChIKeyIXEHNDSAQMWECE-UHFFFAOYSA-N
XLogP1.69
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propylpyrrolidin-2-yl)-3-propylsulfonylpropan-1-one?
The IUPAC name of 1-(2-propylpyrrolidin-2-yl)-3-propylsulfonylpropan-1-one (CID 106976841) is 1-(2-propylpyrrolidin-2-yl)-3-propylsulfonylpropan-1-one.
What is the SMILES notation for 1-(2-propylpyrrolidin-2-yl)-3-propylsulfonylpropan-1-one?
The canonical SMILES for 1-(2-propylpyrrolidin-2-yl)-3-propylsulfonylpropan-1-one is CCCC1(C(=O)CCS(=O)(=O)CCC)CCCN1.
What is the InChIKey of 1-(2-propylpyrrolidin-2-yl)-3-propylsulfonylpropan-1-one?
The InChIKey is IXEHNDSAQMWECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-3-7-13(8-5-9-14-13)12(15)6-11-18(16,17)10-4-2/h14H,3-11H2,1-2H3.
What are the key properties of 1-(2-propylpyrrolidin-2-yl)-3-propylsulfonylpropan-1-one?
1-(2-propylpyrrolidin-2-yl)-3-propylsulfonylpropan-1-one has a molecular weight of 275.41 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylpyrrolidin-2-yl)-3-propylsulfonylpropan-1-one is sourced from PubChem (CID 106976841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).