(2S,6R)-2,6-dimethyl-4-pyrrolidin-3-ylsulfonylmorpholine

C10H20N2O3S — CID 104961415

IUPAC(2S,6R)-2,6-dimethyl-4-pyrrolidin-3-ylsulfonylmorpholine
SMILESC[C@@H]1CN(S(=O)(=O)C2CCNC2)C[C@H](C)O1
InChIInChI=1S/C10H20N2O3S/c1-8-6-12(7-9(2)15-8)16(13,14)10-3-4-11-5-10/h8-11H,3-7H2,1-2H3/t8-,9+,10?
InChIKeyDLUFDGOLAXEBPL-ULKQDVFKSA-N
MW248.35 g/mol
LogP-0.21
Rot. Bonds2

About (2S,6R)-2,6-dimethyl-4-pyrrolidin-3-ylsulfonylmorpholine

(2S,6R)-2,6-dimethyl-4-pyrrolidin-3-ylsulfonylmorpholine (PubChem CID 104961415) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-pyrrolidin-3-ylsulfonylmorpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-pyrrolidin-3-ylsulfonylmorpholine
PubChem CID104961415
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name(2S,6R)-2,6-dimethyl-4-pyrrolidin-3-ylsulfonylmorpholine
SMILESC[C@@H]1CN(S(=O)(=O)C2CCNC2)C[C@H](C)O1
InChIInChI=1S/C10H20N2O3S/c1-8-6-12(7-9(2)15-8)16(13,14)10-3-4-11-5-10/h8-11H,3-7H2,1-2H3/t8-,9+,10?
InChIKeyDLUFDGOLAXEBPL-ULKQDVFKSA-N
XLogP-0.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-pyrrolidin-3-ylsulfonylmorpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-pyrrolidin-3-ylsulfonylmorpholine (CID 104961415) is (2S,6R)-2,6-dimethyl-4-pyrrolidin-3-ylsulfonylmorpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-pyrrolidin-3-ylsulfonylmorpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-pyrrolidin-3-ylsulfonylmorpholine is C[C@@H]1CN(S(=O)(=O)C2CCNC2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-pyrrolidin-3-ylsulfonylmorpholine?
The InChIKey is DLUFDGOLAXEBPL-ULKQDVFKSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-8-6-12(7-9(2)15-8)16(13,14)10-3-4-11-5-10/h8-11H,3-7H2,1-2H3/t8-,9+,10?.
What are the key properties of (2S,6R)-2,6-dimethyl-4-pyrrolidin-3-ylsulfonylmorpholine?
(2S,6R)-2,6-dimethyl-4-pyrrolidin-3-ylsulfonylmorpholine has a molecular weight of 248.35 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-pyrrolidin-3-ylsulfonylmorpholine is sourced from PubChem (CID 104961415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).