4-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-2,6-dimethylmorpholine

C13H29N3O3S — CID 51078397

IUPAC4-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-2,6-dimethylmorpholine
SMILESCCCCN(C)S(=O)(=O)NCCN1CC(C)OC(C)C1
InChIInChI=1S/C13H29N3O3S/c1-5-6-8-15(4)20(17,18)14-7-9-16-10-12(2)19-13(3)11-16/h12-14H,5-11H2,1-4H3
InChIKeyJCPBSDXWJACFMH-UHFFFAOYSA-N
MW307.46 g/mol
LogP0.66
Rot. Bonds8

About 4-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-2,6-dimethylmorpholine

4-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-2,6-dimethylmorpholine (PubChem CID 51078397) has the molecular formula C13H29N3O3S and a molecular weight of 307.46 g/mol. Its IUPAC name is 4-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-2,6-dimethylmorpholine
PubChem CID51078397
Molecular FormulaC13H29N3O3S
Molecular Weight307.46 g/mol
Exact Mass307.19
IUPAC Name4-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-2,6-dimethylmorpholine
SMILESCCCCN(C)S(=O)(=O)NCCN1CC(C)OC(C)C1
InChIInChI=1S/C13H29N3O3S/c1-5-6-8-15(4)20(17,18)14-7-9-16-10-12(2)19-13(3)11-16/h12-14H,5-11H2,1-4H3
InChIKeyJCPBSDXWJACFMH-UHFFFAOYSA-N
XLogP0.66
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-2,6-dimethylmorpholine (CID 51078397) is 4-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-2,6-dimethylmorpholine is CCCCN(C)S(=O)(=O)NCCN1CC(C)OC(C)C1.
What is the InChIKey of 4-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-2,6-dimethylmorpholine?
The InChIKey is JCPBSDXWJACFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O3S/c1-5-6-8-15(4)20(17,18)14-7-9-16-10-12(2)19-13(3)11-16/h12-14H,5-11H2,1-4H3.
What are the key properties of 4-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-2,6-dimethylmorpholine?
4-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-2,6-dimethylmorpholine has a molecular weight of 307.46 g/mol, XLogP of 0.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 51078397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).