N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N',N'-dipropylpentanediamide

C19H37N3O5S — CID 56540877

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NCCS(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C19H37N3O5S/c1-5-11-21(12-6-2)19(24)9-7-8-18(23)20-10-13-28(25,26)22-14-16(3)27-17(4)15-22/h16-17H,5-15H2,1-4H3,(H,20,23)
InChIKeyNDDGBHAXHFPYPG-UHFFFAOYSA-N
MW419.59 g/mol
LogP1.36
Rot. Bonds12

About N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N',N'-dipropylpentanediamide

N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N',N'-dipropylpentanediamide (PubChem CID 56540877) has the molecular formula C19H37N3O5S and a molecular weight of 419.59 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N',N'-dipropylpentanediamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N',N'-dipropylpentanediamide
PubChem CID56540877
Molecular FormulaC19H37N3O5S
Molecular Weight419.59 g/mol
Exact Mass419.25
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NCCS(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C19H37N3O5S/c1-5-11-21(12-6-2)19(24)9-7-8-18(23)20-10-13-28(25,26)22-14-16(3)27-17(4)15-22/h16-17H,5-15H2,1-4H3,(H,20,23)
InChIKeyNDDGBHAXHFPYPG-UHFFFAOYSA-N
XLogP1.36
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.59
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N',N'-dipropylpentanediamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N',N'-dipropylpentanediamide (CID 56540877) is N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N',N'-dipropylpentanediamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N',N'-dipropylpentanediamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N',N'-dipropylpentanediamide is CCCN(CCC)C(=O)CCCC(=O)NCCS(=O)(=O)N1CC(C)OC(C)C1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N',N'-dipropylpentanediamide?
The InChIKey is NDDGBHAXHFPYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O5S/c1-5-11-21(12-6-2)19(24)9-7-8-18(23)20-10-13-28(25,26)22-14-16(3)27-17(4)15-22/h16-17H,5-15H2,1-4H3,(H,20,23).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N',N'-dipropylpentanediamide?
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N',N'-dipropylpentanediamide has a molecular weight of 419.59 g/mol, XLogP of 1.36, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N',N'-dipropylpentanediamide is sourced from PubChem (CID 56540877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).