4-(4-iodophenyl)sulfonyl-2,6-dimethylmorpholine

C12H16INO3S — CID 2933263

IUPAC4-(4-iodophenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccc(I)cc2)CC(C)O1
InChIInChI=1S/C12H16INO3S/c1-9-7-14(8-10(2)17-9)18(15,16)12-5-3-11(13)4-6-12/h3-6,9-10H,7-8H2,1-2H3
InChIKeyDIHNNQDFTYYSCG-UHFFFAOYSA-N
MW381.24 g/mol
LogP2.09
Rot. Bonds2

About 4-(4-iodophenyl)sulfonyl-2,6-dimethylmorpholine

4-(4-iodophenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 2933263) has the molecular formula C12H16INO3S and a molecular weight of 381.24 g/mol. Its IUPAC name is 4-(4-iodophenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(4-iodophenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID2933263
Molecular FormulaC12H16INO3S
Molecular Weight381.24 g/mol
Exact Mass380.99
IUPAC Name4-(4-iodophenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccc(I)cc2)CC(C)O1
InChIInChI=1S/C12H16INO3S/c1-9-7-14(8-10(2)17-9)18(15,16)12-5-3-11(13)4-6-12/h3-6,9-10H,7-8H2,1-2H3
InChIKeyDIHNNQDFTYYSCG-UHFFFAOYSA-N
XLogP2.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-iodophenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-(4-iodophenyl)sulfonyl-2,6-dimethylmorpholine (CID 2933263) is 4-(4-iodophenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(4-iodophenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-(4-iodophenyl)sulfonyl-2,6-dimethylmorpholine is CC1CN(S(=O)(=O)c2ccc(I)cc2)CC(C)O1.
What is the InChIKey of 4-(4-iodophenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is DIHNNQDFTYYSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO3S/c1-9-7-14(8-10(2)17-9)18(15,16)12-5-3-11(13)4-6-12/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 4-(4-iodophenyl)sulfonyl-2,6-dimethylmorpholine?
4-(4-iodophenyl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 381.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 2933263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).