3-butylsulfonylmorpholine

C8H17NO3S — CID 54543385

IUPAC3-butylsulfonylmorpholine
SMILESCCCCS(=O)(=O)C1COCCN1
InChIInChI=1S/C8H17NO3S/c1-2-3-6-13(10,11)8-7-12-5-4-9-8/h8-9H,2-7H2,1H3
InChIKeyAIWWFIPGVAYWTE-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.15
Rot. Bonds4

About 3-butylsulfonylmorpholine

3-butylsulfonylmorpholine (PubChem CID 54543385) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 3-butylsulfonylmorpholine.

Molecular Properties

Compound Name3-butylsulfonylmorpholine
PubChem CID54543385
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name3-butylsulfonylmorpholine
SMILESCCCCS(=O)(=O)C1COCCN1
InChIInChI=1S/C8H17NO3S/c1-2-3-6-13(10,11)8-7-12-5-4-9-8/h8-9H,2-7H2,1H3
InChIKeyAIWWFIPGVAYWTE-UHFFFAOYSA-N
XLogP0.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butylsulfonylmorpholine?
The IUPAC name of 3-butylsulfonylmorpholine (CID 54543385) is 3-butylsulfonylmorpholine.
What is the SMILES notation for 3-butylsulfonylmorpholine?
The canonical SMILES for 3-butylsulfonylmorpholine is CCCCS(=O)(=O)C1COCCN1.
What is the InChIKey of 3-butylsulfonylmorpholine?
The InChIKey is AIWWFIPGVAYWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-2-3-6-13(10,11)8-7-12-5-4-9-8/h8-9H,2-7H2,1H3.
What are the key properties of 3-butylsulfonylmorpholine?
3-butylsulfonylmorpholine has a molecular weight of 207.29 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylsulfonylmorpholine is sourced from PubChem (CID 54543385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).