N-methylmorpholine-4-sulfonamide

C5H12N2O3S — CID 14617449

IUPACN-methylmorpholine-4-sulfonamide
SMILESCNS(=O)(=O)N1CCOCC1
InChIInChI=1S/C5H12N2O3S/c1-6-11(8,9)7-2-4-10-5-3-7/h6H,2-5H2,1H3
InChIKeyHJJUIWFLTIJSBL-UHFFFAOYSA-N
MW180.23 g/mol
LogP-1.22
Rot. Bonds2

About N-methylmorpholine-4-sulfonamide

N-methylmorpholine-4-sulfonamide (PubChem CID 14617449) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is N-methylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-methylmorpholine-4-sulfonamide
PubChem CID14617449
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC NameN-methylmorpholine-4-sulfonamide
SMILESCNS(=O)(=O)N1CCOCC1
InChIInChI=1S/C5H12N2O3S/c1-6-11(8,9)7-2-4-10-5-3-7/h6H,2-5H2,1H3
InChIKeyHJJUIWFLTIJSBL-UHFFFAOYSA-N
XLogP-1.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methylmorpholine-4-sulfonamide?
The IUPAC name of N-methylmorpholine-4-sulfonamide (CID 14617449) is N-methylmorpholine-4-sulfonamide.
What is the SMILES notation for N-methylmorpholine-4-sulfonamide?
The canonical SMILES for N-methylmorpholine-4-sulfonamide is CNS(=O)(=O)N1CCOCC1.
What is the InChIKey of N-methylmorpholine-4-sulfonamide?
The InChIKey is HJJUIWFLTIJSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c1-6-11(8,9)7-2-4-10-5-3-7/h6H,2-5H2,1H3.
What are the key properties of N-methylmorpholine-4-sulfonamide?
N-methylmorpholine-4-sulfonamide has a molecular weight of 180.23 g/mol, XLogP of -1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmorpholine-4-sulfonamide is sourced from PubChem (CID 14617449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).