1-(2-ethylpyrrolidin-2-yl)-3-propan-2-ylsulfonylpropan-1-one

C12H23NO3S — CID 106736872

IUPAC1-(2-ethylpyrrolidin-2-yl)-3-propan-2-ylsulfonylpropan-1-one
SMILESCCC1(C(=O)CCS(=O)(=O)C(C)C)CCCN1
InChIInChI=1S/C12H23NO3S/c1-4-12(7-5-8-13-12)11(14)6-9-17(15,16)10(2)3/h10,13H,4-9H2,1-3H3
InChIKeyYAXYDCHXJFBNJV-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.30
Rot. Bonds6

About 1-(2-ethylpyrrolidin-2-yl)-3-propan-2-ylsulfonylpropan-1-one

1-(2-ethylpyrrolidin-2-yl)-3-propan-2-ylsulfonylpropan-1-one (PubChem CID 106736872) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(2-ethylpyrrolidin-2-yl)-3-propan-2-ylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-(2-ethylpyrrolidin-2-yl)-3-propan-2-ylsulfonylpropan-1-one
PubChem CID106736872
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name1-(2-ethylpyrrolidin-2-yl)-3-propan-2-ylsulfonylpropan-1-one
SMILESCCC1(C(=O)CCS(=O)(=O)C(C)C)CCCN1
InChIInChI=1S/C12H23NO3S/c1-4-12(7-5-8-13-12)11(14)6-9-17(15,16)10(2)3/h10,13H,4-9H2,1-3H3
InChIKeyYAXYDCHXJFBNJV-UHFFFAOYSA-N
XLogP1.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylpyrrolidin-2-yl)-3-propylsulfonylpropan-1-one
CID 106736874
1-(2-ethylpyrrolidin-2-yl)-3-methylpentan-1-one
CID 116608093
2-ethyl-N-propan-2-ylsulfonylpyrrolidine-2-carboxamide
CID 103308078
3-cyclopropyl-1-(2-ethylpyrrolidin-2-yl)propan-1-one
CID 116608261
1-(3-ethylpyrrolidin-3-yl)-3-propan-2-ylsulfonylpropan-1-one
CID 106736406
1-(2-propylpyrrolidin-2-yl)-3-propylsulfonylpropan-1-one
CID 106976841
1-(2-ethylpyrrolidin-2-yl)-3-methylhexan-1-one
CID 116608171
2-ethyl-N-methyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 83080860
2-ethyl-N-propylsulfonylpyrrolidine-2-carboxamide
CID 103307585
2-ethyl-N-ethylsulfonylpyrrolidine-2-carboxamide
CID 103307069
1-(2-propylpyrrolidin-2-yl)octan-1-one
CID 106976688
5-methyl-1-(2-propylpyrrolidin-2-yl)hexan-1-one
CID 106976672

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrrolidin-2-yl)-3-propan-2-ylsulfonylpropan-1-one?
The IUPAC name of 1-(2-ethylpyrrolidin-2-yl)-3-propan-2-ylsulfonylpropan-1-one (CID 106736872) is 1-(2-ethylpyrrolidin-2-yl)-3-propan-2-ylsulfonylpropan-1-one.
What is the SMILES notation for 1-(2-ethylpyrrolidin-2-yl)-3-propan-2-ylsulfonylpropan-1-one?
The canonical SMILES for 1-(2-ethylpyrrolidin-2-yl)-3-propan-2-ylsulfonylpropan-1-one is CCC1(C(=O)CCS(=O)(=O)C(C)C)CCCN1.
What is the InChIKey of 1-(2-ethylpyrrolidin-2-yl)-3-propan-2-ylsulfonylpropan-1-one?
The InChIKey is YAXYDCHXJFBNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-4-12(7-5-8-13-12)11(14)6-9-17(15,16)10(2)3/h10,13H,4-9H2,1-3H3.
What are the key properties of 1-(2-ethylpyrrolidin-2-yl)-3-propan-2-ylsulfonylpropan-1-one?
1-(2-ethylpyrrolidin-2-yl)-3-propan-2-ylsulfonylpropan-1-one has a molecular weight of 261.39 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrrolidin-2-yl)-3-propan-2-ylsulfonylpropan-1-one is sourced from PubChem (CID 106736872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).