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25999-04-6 molecular structure
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morpholine-4-sulfonamide

ChemBase ID: 281340
Molecular Formular: C4H10N2O3S
Molecular Mass: 166.1988
Monoisotopic Mass: 166.04121319
SMILES and InChIs

SMILES:
S(=O)(=O)(N1CCOCC1)N
Canonical SMILES:
NS(=O)(=O)N1CCOCC1
InChI:
InChI=1S/C4H10N2O3S/c5-10(7,8)6-1-3-9-4-2-6/h1-4H2,(H2,5,7,8)
InChIKey:
WZWQJRQCWCFUTM-UHFFFAOYSA-N

Cite this record

CBID:281340 http://www.chembase.cn/molecule-281340.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
morpholine-4-sulfonamide
IUPAC Traditional name
morpholine-4-sulfonamide
Synonyms
morpholine-4-sulfonamide
CAS Number
25999-04-6
MDL Number
MFCD11171673
PubChem SID
180666871
PubChem CID
276739

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 276739 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.353  H Acceptors
H Donor LogD (pH = 5.5) -1.7624527 
LogD (pH = 7.4) -1.7624952  Log P -1.7624522 
Molar Refractivity 35.7095 cm3 Polarizability 15.044784 Å3
Polar Surface Area 72.63 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
161 - 163°C expand Show data source
Hydrophobicity(logP)
-0.39 expand Show data source
Purity
95% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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