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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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).