(3S,4R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-3,4-diol

C10H20N2O5S — CID 79410684

IUPAC(3S,4R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-3,4-diol
SMILESCC1CN(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)CC(C)O1
InChIInChI=1S/C10H20N2O5S/c1-7-3-11(4-8(2)17-7)18(15,16)12-5-9(13)10(14)6-12/h7-10,13-14H,3-6H2,1-2H3/t7?,8?,9-,10+
InChIKeyNGTAQQDOUWHMPF-OXYCZDQYSA-N
MW280.35 g/mol
LogP-1.62
Rot. Bonds2

About (3S,4R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-3,4-diol

(3S,4R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-3,4-diol (PubChem CID 79410684) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is (3S,4R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-3,4-diol
PubChem CID79410684
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Name(3S,4R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-3,4-diol
SMILESCC1CN(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)CC(C)O1
InChIInChI=1S/C10H20N2O5S/c1-7-3-11(4-8(2)17-7)18(15,16)12-5-9(13)10(14)6-12/h7-10,13-14H,3-6H2,1-2H3/t7?,8?,9-,10+
InChIKeyNGTAQQDOUWHMPF-OXYCZDQYSA-N
XLogP-1.62
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122105624
1-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-methylpiperidin-4-ol
CID 81103434
[1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidin-4-yl]methanol
CID 54878650
2,6-dimethyl-4-piperazin-1-ylsulfonylmorpholine;hydrochloride
CID 119961532
(2S,6R)-N,N,2,6-tetramethylmorpholine-4-sulfonamide
CID 884474
2,6-dimethyl-4-(tribromomethylsulfonyl)morpholine
CID 21445275
(3R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpyrrolidin-3-amine
CID 124572808
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methylpiperidine-4-carboxamide
CID 94018098
2,6-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonylmorpholine
CID 51330482
(2S)-2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]propanoic acid
CID 125149387
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methylpiperidine-4-carboxamide
CID 94018099
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 46452768

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-3,4-diol?
The IUPAC name of (3S,4R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-3,4-diol (CID 79410684) is (3S,4R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-3,4-diol.
What is the SMILES notation for (3S,4R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-3,4-diol?
The canonical SMILES for (3S,4R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-3,4-diol is CC1CN(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)CC(C)O1.
What is the InChIKey of (3S,4R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-3,4-diol?
The InChIKey is NGTAQQDOUWHMPF-OXYCZDQYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-7-3-11(4-8(2)17-7)18(15,16)12-5-9(13)10(14)6-12/h7-10,13-14H,3-6H2,1-2H3/t7?,8?,9-,10+.
What are the key properties of (3S,4R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-3,4-diol?
(3S,4R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-3,4-diol has a molecular weight of 280.35 g/mol, XLogP of -1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-3,4-diol is sourced from PubChem (CID 79410684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).