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

C11H23NO4S — CID 79088037

IUPAC4-ethylsulfonyl-1-(4-methylmorpholin-2-yl)butan-1-ol
SMILESCCS(=O)(=O)CCCC(O)C1CN(C)CCO1
InChIInChI=1S/C11H23NO4S/c1-3-17(14,15)8-4-5-10(13)11-9-12(2)6-7-16-11/h10-11,13H,3-9H2,1-2H3
InChIKeyAAZNIAWOBILKQN-UHFFFAOYSA-N
MW265.37 g/mol
LogP-0.11
Rot. Bonds6

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

4-ethylsulfonyl-1-(4-methylmorpholin-2-yl)butan-1-ol (PubChem CID 79088037) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-(4-methylmorpholin-2-yl)butan-1-ol.

Molecular Properties

Compound Name4-ethylsulfonyl-1-(4-methylmorpholin-2-yl)butan-1-ol
PubChem CID79088037
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name4-ethylsulfonyl-1-(4-methylmorpholin-2-yl)butan-1-ol
SMILESCCS(=O)(=O)CCCC(O)C1CN(C)CCO1
InChIInChI=1S/C11H23NO4S/c1-3-17(14,15)8-4-5-10(13)11-9-12(2)6-7-16-11/h10-11,13H,3-9H2,1-2H3
InChIKeyAAZNIAWOBILKQN-UHFFFAOYSA-N
XLogP-0.11
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 5-0.11
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-methylmorpholin-2-yl)butan-1-ol?
The IUPAC name of 4-ethylsulfonyl-1-(4-methylmorpholin-2-yl)butan-1-ol (CID 79088037) is 4-ethylsulfonyl-1-(4-methylmorpholin-2-yl)butan-1-ol.
What is the SMILES notation for 4-ethylsulfonyl-1-(4-methylmorpholin-2-yl)butan-1-ol?
The canonical SMILES for 4-ethylsulfonyl-1-(4-methylmorpholin-2-yl)butan-1-ol is CCS(=O)(=O)CCCC(O)C1CN(C)CCO1.
What is the InChIKey of 4-ethylsulfonyl-1-(4-methylmorpholin-2-yl)butan-1-ol?
The InChIKey is AAZNIAWOBILKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-3-17(14,15)8-4-5-10(13)11-9-12(2)6-7-16-11/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-1-(4-methylmorpholin-2-yl)butan-1-ol?
4-ethylsulfonyl-1-(4-methylmorpholin-2-yl)butan-1-ol has a molecular weight of 265.37 g/mol, XLogP of -0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-(4-methylmorpholin-2-yl)butan-1-ol is sourced from PubChem (CID 79088037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).