(2S)-2,5,5-trimethyl-4-methylsulfonylmorpholine

C8H17NO3S — CID 51710288

IUPAC(2S)-2,5,5-trimethyl-4-methylsulfonylmorpholine
SMILESC[C@H]1CN(S(C)(=O)=O)C(C)(C)CO1
InChIInChI=1S/C8H17NO3S/c1-7-5-9(13(4,10)11)8(2,3)6-12-7/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyDHRXGUNFGLIIDP-ZETCQYMHSA-N
MW207.29 g/mol
LogP0.45
Rot. Bonds1

About (2S)-2,5,5-trimethyl-4-methylsulfonylmorpholine

(2S)-2,5,5-trimethyl-4-methylsulfonylmorpholine (PubChem CID 51710288) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is (2S)-2,5,5-trimethyl-4-methylsulfonylmorpholine.

Molecular Properties

Compound Name(2S)-2,5,5-trimethyl-4-methylsulfonylmorpholine
PubChem CID51710288
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name(2S)-2,5,5-trimethyl-4-methylsulfonylmorpholine
SMILESC[C@H]1CN(S(C)(=O)=O)C(C)(C)CO1
InChIInChI=1S/C8H17NO3S/c1-7-5-9(13(4,10)11)8(2,3)6-12-7/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyDHRXGUNFGLIIDP-ZETCQYMHSA-N
XLogP0.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,5,5-trimethyl-4-methylsulfonylmorpholine?
The IUPAC name of (2S)-2,5,5-trimethyl-4-methylsulfonylmorpholine (CID 51710288) is (2S)-2,5,5-trimethyl-4-methylsulfonylmorpholine.
What is the SMILES notation for (2S)-2,5,5-trimethyl-4-methylsulfonylmorpholine?
The canonical SMILES for (2S)-2,5,5-trimethyl-4-methylsulfonylmorpholine is C[C@H]1CN(S(C)(=O)=O)C(C)(C)CO1.
What is the InChIKey of (2S)-2,5,5-trimethyl-4-methylsulfonylmorpholine?
The InChIKey is DHRXGUNFGLIIDP-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7-5-9(13(4,10)11)8(2,3)6-12-7/h7H,5-6H2,1-4H3/t7-/m0/s1.
What are the key properties of (2S)-2,5,5-trimethyl-4-methylsulfonylmorpholine?
(2S)-2,5,5-trimethyl-4-methylsulfonylmorpholine has a molecular weight of 207.29 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5,5-trimethyl-4-methylsulfonylmorpholine is sourced from PubChem (CID 51710288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).