4-[(2S,3R)-3-methyloxiran-2-yl]sulfonylmorpholine

C7H13NO4S — CID 71450985

IUPAC4-[(2S,3R)-3-methyloxiran-2-yl]sulfonylmorpholine
SMILESC[C@H]1O[C@H]1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C7H13NO4S/c1-6-7(12-6)13(9,10)8-2-4-11-5-3-8/h6-7H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyUUCCIRAMRSVPNW-RQJHMYQMSA-N
MW207.25 g/mol
LogP-0.61
Rot. Bonds2

About 4-[(2S,3R)-3-methyloxiran-2-yl]sulfonylmorpholine

4-[(2S,3R)-3-methyloxiran-2-yl]sulfonylmorpholine (PubChem CID 71450985) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is 4-[(2S,3R)-3-methyloxiran-2-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[(2S,3R)-3-methyloxiran-2-yl]sulfonylmorpholine
PubChem CID71450985
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name4-[(2S,3R)-3-methyloxiran-2-yl]sulfonylmorpholine
SMILESC[C@H]1O[C@H]1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C7H13NO4S/c1-6-7(12-6)13(9,10)8-2-4-11-5-3-8/h6-7H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyUUCCIRAMRSVPNW-RQJHMYQMSA-N
XLogP-0.61
TPSA59.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3R)-3-methyloxiran-2-yl]sulfonylmorpholine?
The IUPAC name of 4-[(2S,3R)-3-methyloxiran-2-yl]sulfonylmorpholine (CID 71450985) is 4-[(2S,3R)-3-methyloxiran-2-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[(2S,3R)-3-methyloxiran-2-yl]sulfonylmorpholine?
The canonical SMILES for 4-[(2S,3R)-3-methyloxiran-2-yl]sulfonylmorpholine is C[C@H]1O[C@H]1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-[(2S,3R)-3-methyloxiran-2-yl]sulfonylmorpholine?
The InChIKey is UUCCIRAMRSVPNW-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H13NO4S/c1-6-7(12-6)13(9,10)8-2-4-11-5-3-8/h6-7H,2-5H2,1H3/t6-,7+/m1/s1.
What are the key properties of 4-[(2S,3R)-3-methyloxiran-2-yl]sulfonylmorpholine?
4-[(2S,3R)-3-methyloxiran-2-yl]sulfonylmorpholine has a molecular weight of 207.25 g/mol, XLogP of -0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3R)-3-methyloxiran-2-yl]sulfonylmorpholine is sourced from PubChem (CID 71450985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).