(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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Related Compounds

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CID 83058104
CID 83058104
CID 83058240
CID 83058240
CID 24262618
CID 24262618
CID 42252747
CID 42252747
CID 42252751
CID 42252751
CID 58245149
CID 58245149
CID 58245205
CID 58245205
CID 58495800
CID 58495800
CID 61545781
CID 61545781
CID 61547640
CID 61547640

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).