(2S,6S)-4-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonyl-2,6-dimethylmorpholine

C12H24N2O4S — CID 98700562

IUPAC(2S,6S)-4-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonyl-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)[C@@H](C)CO1
InChIInChI=1S/C12H24N2O4S/c1-9-8-17-10(2)7-14(9)19(15,16)13-5-11(3)18-12(4)6-13/h9-12H,5-8H2,1-4H3/t9-,10+,11-,12-/m0/s1
InChIKeyQPCZQJZSIGMGRE-USZNOCQGSA-N
MW292.40 g/mol
LogP0.45
Rot. Bonds2

About (2S,6S)-4-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonyl-2,6-dimethylmorpholine

(2S,6S)-4-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonyl-2,6-dimethylmorpholine (PubChem CID 98700562) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is (2S,6S)-4-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6S)-4-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonyl-2,6-dimethylmorpholine
PubChem CID98700562
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name(2S,6S)-4-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonyl-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)[C@@H](C)CO1
InChIInChI=1S/C12H24N2O4S/c1-9-8-17-10(2)7-14(9)19(15,16)13-5-11(3)18-12(4)6-13/h9-12H,5-8H2,1-4H3/t9-,10+,11-,12-/m0/s1
InChIKeyQPCZQJZSIGMGRE-USZNOCQGSA-N
XLogP0.45
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-2,5-dimethyl-4-morpholin-4-ylsulfonylmorpholine
CID 98798030
4-(2,5-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine
CID 64980380
(2S,5R)-2,5-dimethylmorpholine-4-sulfonyl chloride
CID 94843085
(3R,6R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-6-methylpiperidine-3-carboxamide
CID 95579009
4-(bromomethylsulfonyl)-2,5-dimethylmorpholine
CID 83084634
2,6-dimethyl-4-(2-methylpiperazin-1-yl)sulfonylmorpholine;hydrochloride
CID 119969720
4-ethenylsulfonyl-2,5-dimethylmorpholine
CID 130543907
2-(2,5-dimethylmorpholin-4-yl)sulfonylacetic acid
CID 43544554
1-[(3S)-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124778549
(3S,4R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-3,4-diol
CID 79410684
(2S,5S)-2,5-dimethyl-4-(2-methylpropylsulfonyl)morpholine
CID 100567938
4-(2,3-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine
CID 120725700

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of (2S,6S)-4-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonyl-2,6-dimethylmorpholine (CID 98700562) is (2S,6S)-4-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6S)-4-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6S)-4-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonyl-2,6-dimethylmorpholine is C[C@@H]1CN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)[C@@H](C)CO1.
What is the InChIKey of (2S,6S)-4-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonyl-2,6-dimethylmorpholine?
The InChIKey is QPCZQJZSIGMGRE-USZNOCQGSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-9-8-17-10(2)7-14(9)19(15,16)13-5-11(3)18-12(4)6-13/h9-12H,5-8H2,1-4H3/t9-,10+,11-,12-/m0/s1.
What are the key properties of (2S,6S)-4-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonyl-2,6-dimethylmorpholine?
(2S,6S)-4-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonyl-2,6-dimethylmorpholine has a molecular weight of 292.40 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 98700562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).