2,6-dimethyl-N-(2-morpholin-4-ylpropyl)morpholine-4-sulfonamide

C13H27N3O4S — CID 55621415

IUPAC2,6-dimethyl-N-(2-morpholin-4-ylpropyl)morpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)NCC(C)N2CCOCC2)CC(C)O1
InChIInChI=1S/C13H27N3O4S/c1-11(15-4-6-19-7-5-15)8-14-21(17,18)16-9-12(2)20-13(3)10-16/h11-14H,4-10H2,1-3H3
InChIKeyPWXWQWVWLNIMSN-UHFFFAOYSA-N
MW321.44 g/mol
LogP-0.35
Rot. Bonds5

About 2,6-dimethyl-N-(2-morpholin-4-ylpropyl)morpholine-4-sulfonamide

2,6-dimethyl-N-(2-morpholin-4-ylpropyl)morpholine-4-sulfonamide (PubChem CID 55621415) has the molecular formula C13H27N3O4S and a molecular weight of 321.44 g/mol. Its IUPAC name is 2,6-dimethyl-N-(2-morpholin-4-ylpropyl)morpholine-4-sulfonamide.

Molecular Properties

Compound Name2,6-dimethyl-N-(2-morpholin-4-ylpropyl)morpholine-4-sulfonamide
PubChem CID55621415
Molecular FormulaC13H27N3O4S
Molecular Weight321.44 g/mol
Exact Mass321.17
IUPAC Name2,6-dimethyl-N-(2-morpholin-4-ylpropyl)morpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)NCC(C)N2CCOCC2)CC(C)O1
InChIInChI=1S/C13H27N3O4S/c1-11(15-4-6-19-7-5-15)8-14-21(17,18)16-9-12(2)20-13(3)10-16/h11-14H,4-10H2,1-3H3
InChIKeyPWXWQWVWLNIMSN-UHFFFAOYSA-N
XLogP-0.35
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(2-morpholin-4-ylpropyl)morpholine-4-sulfonamide?
The IUPAC name of 2,6-dimethyl-N-(2-morpholin-4-ylpropyl)morpholine-4-sulfonamide (CID 55621415) is 2,6-dimethyl-N-(2-morpholin-4-ylpropyl)morpholine-4-sulfonamide.
What is the SMILES notation for 2,6-dimethyl-N-(2-morpholin-4-ylpropyl)morpholine-4-sulfonamide?
The canonical SMILES for 2,6-dimethyl-N-(2-morpholin-4-ylpropyl)morpholine-4-sulfonamide is CC1CN(S(=O)(=O)NCC(C)N2CCOCC2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-N-(2-morpholin-4-ylpropyl)morpholine-4-sulfonamide?
The InChIKey is PWXWQWVWLNIMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O4S/c1-11(15-4-6-19-7-5-15)8-14-21(17,18)16-9-12(2)20-13(3)10-16/h11-14H,4-10H2,1-3H3.
What are the key properties of 2,6-dimethyl-N-(2-morpholin-4-ylpropyl)morpholine-4-sulfonamide?
2,6-dimethyl-N-(2-morpholin-4-ylpropyl)morpholine-4-sulfonamide has a molecular weight of 321.44 g/mol, XLogP of -0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(2-morpholin-4-ylpropyl)morpholine-4-sulfonamide is sourced from PubChem (CID 55621415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).