2-(methylsulfonylmethyl)morpholine

C6H13NO3S — CID 83696073

IUPAC2-(methylsulfonylmethyl)morpholine
SMILESCS(=O)(=O)CC1CNCCO1
InChIInChI=1S/C6H13NO3S/c1-11(8,9)5-6-4-7-2-3-10-6/h6-7H,2-5H2,1H3
InChIKeyLOBZKQDPMWPLCG-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.98
Rot. Bonds2

About 2-(methylsulfonylmethyl)morpholine

2-(methylsulfonylmethyl)morpholine (PubChem CID 83696073) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-(methylsulfonylmethyl)morpholine.

Molecular Properties

Compound Name2-(methylsulfonylmethyl)morpholine
PubChem CID83696073
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name2-(methylsulfonylmethyl)morpholine
SMILESCS(=O)(=O)CC1CNCCO1
InChIInChI=1S/C6H13NO3S/c1-11(8,9)5-6-4-7-2-3-10-6/h6-7H,2-5H2,1H3
InChIKeyLOBZKQDPMWPLCG-UHFFFAOYSA-N
XLogP-0.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfonylmethyl)morpholine?
The IUPAC name of 2-(methylsulfonylmethyl)morpholine (CID 83696073) is 2-(methylsulfonylmethyl)morpholine.
What is the SMILES notation for 2-(methylsulfonylmethyl)morpholine?
The canonical SMILES for 2-(methylsulfonylmethyl)morpholine is CS(=O)(=O)CC1CNCCO1.
What is the InChIKey of 2-(methylsulfonylmethyl)morpholine?
The InChIKey is LOBZKQDPMWPLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-11(8,9)5-6-4-7-2-3-10-6/h6-7H,2-5H2,1H3.
What are the key properties of 2-(methylsulfonylmethyl)morpholine?
2-(methylsulfonylmethyl)morpholine has a molecular weight of 179.24 g/mol, XLogP of -0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfonylmethyl)morpholine is sourced from PubChem (CID 83696073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).