3-(5-ethylsulfonyl-2-fluoro-2-methylpentyl)morpholine

C12H24FNO3S — CID 113462359

IUPAC3-(5-ethylsulfonyl-2-fluoro-2-methylpentyl)morpholine
SMILESCCS(=O)(=O)CCCC(C)(F)CC1COCCN1
InChIInChI=1S/C12H24FNO3S/c1-3-18(15,16)8-4-5-12(2,13)9-11-10-17-7-6-14-11/h11,14H,3-10H2,1-2H3
InChIKeySVAARYWDWOYGSE-UHFFFAOYSA-N
MW281.39 g/mol
LogP1.31
Rot. Bonds7

About 3-(5-ethylsulfonyl-2-fluoro-2-methylpentyl)morpholine

3-(5-ethylsulfonyl-2-fluoro-2-methylpentyl)morpholine (PubChem CID 113462359) has the molecular formula C12H24FNO3S and a molecular weight of 281.39 g/mol. Its IUPAC name is 3-(5-ethylsulfonyl-2-fluoro-2-methylpentyl)morpholine.

Molecular Properties

Compound Name3-(5-ethylsulfonyl-2-fluoro-2-methylpentyl)morpholine
PubChem CID113462359
Molecular FormulaC12H24FNO3S
Molecular Weight281.39 g/mol
Exact Mass281.15
IUPAC Name3-(5-ethylsulfonyl-2-fluoro-2-methylpentyl)morpholine
SMILESCCS(=O)(=O)CCCC(C)(F)CC1COCCN1
InChIInChI=1S/C12H24FNO3S/c1-3-18(15,16)8-4-5-12(2,13)9-11-10-17-7-6-14-11/h11,14H,3-10H2,1-2H3
InChIKeySVAARYWDWOYGSE-UHFFFAOYSA-N
XLogP1.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethylsulfonyl-2-fluoro-2-methylpentyl)morpholine?
The IUPAC name of 3-(5-ethylsulfonyl-2-fluoro-2-methylpentyl)morpholine (CID 113462359) is 3-(5-ethylsulfonyl-2-fluoro-2-methylpentyl)morpholine.
What is the SMILES notation for 3-(5-ethylsulfonyl-2-fluoro-2-methylpentyl)morpholine?
The canonical SMILES for 3-(5-ethylsulfonyl-2-fluoro-2-methylpentyl)morpholine is CCS(=O)(=O)CCCC(C)(F)CC1COCCN1.
What is the InChIKey of 3-(5-ethylsulfonyl-2-fluoro-2-methylpentyl)morpholine?
The InChIKey is SVAARYWDWOYGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO3S/c1-3-18(15,16)8-4-5-12(2,13)9-11-10-17-7-6-14-11/h11,14H,3-10H2,1-2H3.
What are the key properties of 3-(5-ethylsulfonyl-2-fluoro-2-methylpentyl)morpholine?
3-(5-ethylsulfonyl-2-fluoro-2-methylpentyl)morpholine has a molecular weight of 281.39 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethylsulfonyl-2-fluoro-2-methylpentyl)morpholine is sourced from PubChem (CID 113462359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).