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

C8H18N2O5S — CID 62968033

IUPACN-(2,2-dimethoxyethyl)morpholine-4-sulfonamide
SMILESCOC(CNS(=O)(=O)N1CCOCC1)OC
InChIInChI=1S/C8H18N2O5S/c1-13-8(14-2)7-9-16(11,12)10-3-5-15-6-4-10/h8-9H,3-7H2,1-2H3
InChIKeyXTPFLQDXZQYKFJ-UHFFFAOYSA-N
MW254.31 g/mol
LogP-1.23
Rot. Bonds6

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

N-(2,2-dimethoxyethyl)morpholine-4-sulfonamide (PubChem CID 62968033) has the molecular formula C8H18N2O5S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)morpholine-4-sulfonamide
PubChem CID62968033
Molecular FormulaC8H18N2O5S
Molecular Weight254.31 g/mol
Exact Mass254.09
IUPAC NameN-(2,2-dimethoxyethyl)morpholine-4-sulfonamide
SMILESCOC(CNS(=O)(=O)N1CCOCC1)OC
InChIInChI=1S/C8H18N2O5S/c1-13-8(14-2)7-9-16(11,12)10-3-5-15-6-4-10/h8-9H,3-7H2,1-2H3
InChIKeyXTPFLQDXZQYKFJ-UHFFFAOYSA-N
XLogP-1.23
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-1.23
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-dimethoxyethyl)morpholine-4-sulfonamide?
The IUPAC name of N-(2,2-dimethoxyethyl)morpholine-4-sulfonamide (CID 62968033) is N-(2,2-dimethoxyethyl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)morpholine-4-sulfonamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)morpholine-4-sulfonamide is COC(CNS(=O)(=O)N1CCOCC1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)morpholine-4-sulfonamide?
The InChIKey is XTPFLQDXZQYKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O5S/c1-13-8(14-2)7-9-16(11,12)10-3-5-15-6-4-10/h8-9H,3-7H2,1-2H3.
What are the key properties of N-(2,2-dimethoxyethyl)morpholine-4-sulfonamide?
N-(2,2-dimethoxyethyl)morpholine-4-sulfonamide has a molecular weight of 254.31 g/mol, XLogP of -1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)morpholine-4-sulfonamide is sourced from PubChem (CID 62968033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).