4-(benzenesulfonyl)-2,6-dimethylmorpholine

C12H17NO3S — CID 2849564

IUPAC4-(benzenesulfonyl)-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccccc2)CC(C)O1
InChIInChI=1S/C12H17NO3S/c1-10-8-13(9-11(2)16-10)17(14,15)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyHMHFMQRBPQYTAO-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.48
Rot. Bonds2

About 4-(benzenesulfonyl)-2,6-dimethylmorpholine

4-(benzenesulfonyl)-2,6-dimethylmorpholine (PubChem CID 2849564) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2,6-dimethylmorpholine
PubChem CID2849564
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name4-(benzenesulfonyl)-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccccc2)CC(C)O1
InChIInChI=1S/C12H17NO3S/c1-10-8-13(9-11(2)16-10)17(14,15)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyHMHFMQRBPQYTAO-UHFFFAOYSA-N
XLogP1.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-((4-Methylphenyl)sulphonyl)morpholine
CID 80645
2,6-Dimethyl-4-{[3-(trifluoromethyl)phenyl]sulfonyl}morpholine
CID 2818577
4-(Phenylsulfonyl)morpholine
CID 95050
N-(3-morpholinopropyl)benzene-1,4-disulfonamide (I-2)
CID 25059530
4-[1-(Benzenesulfonyl)piperidin-4-yl]-2,6-dimethylmorpholine
CID 660754
4-[3-(Piperidine-1-sulfonyl)-benzenesulfonyl]-morpholine
CID 1456422
4-(Benzylsulfonyl)-2,6-dimethylmorpholine
CID 2853675
N-[1,1-dimethyl-2-(4-morpholinyl)ethyl]benzenesulfonamide
CID 869890
4-(4-Pyrrolidin-1-ylsulfonylphenyl)sulfonylmorpholine
CID 1168274
4-((2-Fluorophenyl)sulfonyl)morpholine
CID 697731
4-((4-Fluorophenyl)sulfonyl)morpholine
CID 755377
N,N-bis(but-2-ynyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 646302

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2,6-dimethylmorpholine?
The IUPAC name of 4-(benzenesulfonyl)-2,6-dimethylmorpholine (CID 2849564) is 4-(benzenesulfonyl)-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(benzenesulfonyl)-2,6-dimethylmorpholine?
The canonical SMILES for 4-(benzenesulfonyl)-2,6-dimethylmorpholine is CC1CN(S(=O)(=O)c2ccccc2)CC(C)O1.
What is the InChIKey of 4-(benzenesulfonyl)-2,6-dimethylmorpholine?
The InChIKey is HMHFMQRBPQYTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-10-8-13(9-11(2)16-10)17(14,15)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 4-(benzenesulfonyl)-2,6-dimethylmorpholine?
4-(benzenesulfonyl)-2,6-dimethylmorpholine has a molecular weight of 255.34 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 2849564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).