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147962-41-2 molecular structure
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propyl(sulfamoyl)amine

ChemBase ID: 798967
Molecular Formular: C3H10N2O2S
Molecular Mass: 138.1887
Monoisotopic Mass: 138.04629857
SMILES and InChIs

SMILES:
N(S(=O)(=O)N)CCC
Canonical SMILES:
CCCNS(=O)(=O)N
InChI:
InChI=1S/C3H10N2O2S/c1-2-3-5-8(4,6)7/h5H,2-3H2,1H3,(H2,4,6,7)
InChIKey:
FEYGBGVBTKYFOF-UHFFFAOYSA-N

Cite this record

CBID:798967 http://www.chembase.cn/molecule-798967.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
propyl(sulfamoyl)amine
IUPAC Traditional name
propyl(sulfamoyl)amine
Synonyms
propylaminesulfonamide
CAS Number
147962-41-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13115 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O13115 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.798405  H Acceptors
H Donor LogD (pH = 5.5) -0.8882977 
LogD (pH = 7.4) -0.8883129  Log P -0.8882975 
Molar Refractivity 31.0109 cm3 Polarizability 13.169777 Å3
Polar Surface Area 72.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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