N-(2,2-diethoxyethyl)morpholine-4-sulfonamide

C10H22N2O5S — CID 79548082

IUPACN-(2,2-diethoxyethyl)morpholine-4-sulfonamide
SMILESCCOC(CNS(=O)(=O)N1CCOCC1)OCC
InChIInChI=1S/C10H22N2O5S/c1-3-16-10(17-4-2)9-11-18(13,14)12-5-7-15-8-6-12/h10-11H,3-9H2,1-2H3
InChIKeyCRRHEVTTWBRUPX-UHFFFAOYSA-N
MW282.36 g/mol
LogP-0.45
Rot. Bonds8

About N-(2,2-diethoxyethyl)morpholine-4-sulfonamide

N-(2,2-diethoxyethyl)morpholine-4-sulfonamide (PubChem CID 79548082) has the molecular formula C10H22N2O5S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)morpholine-4-sulfonamide
PubChem CID79548082
Molecular FormulaC10H22N2O5S
Molecular Weight282.36 g/mol
Exact Mass282.12
IUPAC NameN-(2,2-diethoxyethyl)morpholine-4-sulfonamide
SMILESCCOC(CNS(=O)(=O)N1CCOCC1)OCC
InChIInChI=1S/C10H22N2O5S/c1-3-16-10(17-4-2)9-11-18(13,14)12-5-7-15-8-6-12/h10-11H,3-9H2,1-2H3
InChIKeyCRRHEVTTWBRUPX-UHFFFAOYSA-N
XLogP-0.45
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)morpholine-4-sulfonamide?
The IUPAC name of N-(2,2-diethoxyethyl)morpholine-4-sulfonamide (CID 79548082) is N-(2,2-diethoxyethyl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)morpholine-4-sulfonamide?
The canonical SMILES for N-(2,2-diethoxyethyl)morpholine-4-sulfonamide is CCOC(CNS(=O)(=O)N1CCOCC1)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)morpholine-4-sulfonamide?
The InChIKey is CRRHEVTTWBRUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O5S/c1-3-16-10(17-4-2)9-11-18(13,14)12-5-7-15-8-6-12/h10-11H,3-9H2,1-2H3.
What are the key properties of N-(2,2-diethoxyethyl)morpholine-4-sulfonamide?
N-(2,2-diethoxyethyl)morpholine-4-sulfonamide has a molecular weight of 282.36 g/mol, XLogP of -0.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)morpholine-4-sulfonamide is sourced from PubChem (CID 79548082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).