4-ethylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol

C13H27NO4S — CID 79657453

IUPAC4-ethylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol
SMILESCCCN1CCOC(C(O)CCCS(=O)(=O)CC)C1
InChIInChI=1S/C13H27NO4S/c1-3-7-14-8-9-18-13(11-14)12(15)6-5-10-19(16,17)4-2/h12-13,15H,3-11H2,1-2H3
InChIKeyIRYOMNCSGFZWGP-UHFFFAOYSA-N
MW293.43 g/mol
LogP0.67
Rot. Bonds8

About 4-ethylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol

4-ethylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol (PubChem CID 79657453) has the molecular formula C13H27NO4S and a molecular weight of 293.43 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol.

Molecular Properties

Compound Name4-ethylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol
PubChem CID79657453
Molecular FormulaC13H27NO4S
Molecular Weight293.43 g/mol
Exact Mass293.17
IUPAC Name4-ethylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol
SMILESCCCN1CCOC(C(O)CCCS(=O)(=O)CC)C1
InChIInChI=1S/C13H27NO4S/c1-3-7-14-8-9-18-13(11-14)12(15)6-5-10-19(16,17)4-2/h12-13,15H,3-11H2,1-2H3
InChIKeyIRYOMNCSGFZWGP-UHFFFAOYSA-N
XLogP0.67
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol?
The IUPAC name of 4-ethylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol (CID 79657453) is 4-ethylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol.
What is the SMILES notation for 4-ethylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol?
The canonical SMILES for 4-ethylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol is CCCN1CCOC(C(O)CCCS(=O)(=O)CC)C1.
What is the InChIKey of 4-ethylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol?
The InChIKey is IRYOMNCSGFZWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4S/c1-3-7-14-8-9-18-13(11-14)12(15)6-5-10-19(16,17)4-2/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol?
4-ethylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol has a molecular weight of 293.43 g/mol, XLogP of 0.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol is sourced from PubChem (CID 79657453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).