1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-methylsulfonylpropan-1-one

C14H26N2O4S — CID 71872072

IUPAC1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-methylsulfonylpropan-1-one
SMILESCCC1CN(C(=O)C(C)S(C)(=O)=O)CC1N1CCOCC1
InChIInChI=1S/C14H26N2O4S/c1-4-12-9-16(14(17)11(2)21(3,18)19)10-13(12)15-5-7-20-8-6-15/h11-13H,4-10H2,1-3H3
InChIKeyIZDAUWBHNLRIOJ-UHFFFAOYSA-N
MW318.44 g/mol
LogP-0.01
Rot. Bonds4

About 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-methylsulfonylpropan-1-one

1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-methylsulfonylpropan-1-one (PubChem CID 71872072) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-methylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-methylsulfonylpropan-1-one
PubChem CID71872072
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Name1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-methylsulfonylpropan-1-one
SMILESCCC1CN(C(=O)C(C)S(C)(=O)=O)CC1N1CCOCC1
InChIInChI=1S/C14H26N2O4S/c1-4-12-9-16(14(17)11(2)21(3,18)19)10-13(12)15-5-7-20-8-6-15/h11-13H,4-10H2,1-3H3
InChIKeyIZDAUWBHNLRIOJ-UHFFFAOYSA-N
XLogP-0.01
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-methylsulfonylpropan-1-one?
The IUPAC name of 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-methylsulfonylpropan-1-one (CID 71872072) is 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-methylsulfonylpropan-1-one.
What is the SMILES notation for 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-methylsulfonylpropan-1-one?
The canonical SMILES for 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-methylsulfonylpropan-1-one is CCC1CN(C(=O)C(C)S(C)(=O)=O)CC1N1CCOCC1.
What is the InChIKey of 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-methylsulfonylpropan-1-one?
The InChIKey is IZDAUWBHNLRIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-4-12-9-16(14(17)11(2)21(3,18)19)10-13(12)15-5-7-20-8-6-15/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-methylsulfonylpropan-1-one?
1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-methylsulfonylpropan-1-one has a molecular weight of 318.44 g/mol, XLogP of -0.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-methylsulfonylpropan-1-one is sourced from PubChem (CID 71872072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).