4-(benzenesulfonyl)-2,2,6-trimethylmorpholine

C13H19NO3S — CID 47429979

IUPAC4-(benzenesulfonyl)-2,2,6-trimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccccc2)CC(C)(C)O1
InChIInChI=1S/C13H19NO3S/c1-11-9-14(10-13(2,3)17-11)18(15,16)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKeyBTWHGYFKBCUCJD-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.87
Rot. Bonds2

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

4-(benzenesulfonyl)-2,2,6-trimethylmorpholine (PubChem CID 47429979) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2,2,6-trimethylmorpholine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2,2,6-trimethylmorpholine
PubChem CID47429979
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name4-(benzenesulfonyl)-2,2,6-trimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccccc2)CC(C)(C)O1
InChIInChI=1S/C13H19NO3S/c1-11-9-14(10-13(2,3)17-11)18(15,16)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKeyBTWHGYFKBCUCJD-UHFFFAOYSA-N
XLogP1.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2,2,6-trimethylmorpholine?
The IUPAC name of 4-(benzenesulfonyl)-2,2,6-trimethylmorpholine (CID 47429979) is 4-(benzenesulfonyl)-2,2,6-trimethylmorpholine.
What is the SMILES notation for 4-(benzenesulfonyl)-2,2,6-trimethylmorpholine?
The canonical SMILES for 4-(benzenesulfonyl)-2,2,6-trimethylmorpholine is CC1CN(S(=O)(=O)c2ccccc2)CC(C)(C)O1.
What is the InChIKey of 4-(benzenesulfonyl)-2,2,6-trimethylmorpholine?
The InChIKey is BTWHGYFKBCUCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-11-9-14(10-13(2,3)17-11)18(15,16)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3.
What are the key properties of 4-(benzenesulfonyl)-2,2,6-trimethylmorpholine?
4-(benzenesulfonyl)-2,2,6-trimethylmorpholine has a molecular weight of 269.37 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2,2,6-trimethylmorpholine is sourced from PubChem (CID 47429979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).