-
N-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)sulfamic acid
-
ChemBase ID:
102769
-
Molecular Formular:
C4H5N3O5S
-
Molecular Mass:
207.1646
-
Monoisotopic Mass:
206.99499128
-
SMILES and InChIs
SMILES:
OS(=O)(=O)Nc1c[nH]c(=O)[nH]c1=O
Canonical SMILES:
O=c1[nH]c(=O)[nH]cc1NS(=O)(=O)O
InChI:
InChI=1S/C4H5N3O5S/c8-3-2(7-13(10,11)12)1-5-4(9)6-3/h1,7H,(H,10,11,12)(H2,5,6,8,9)
InChIKey:
ZZRMMIWUJLCXPF-UHFFFAOYSA-N
-
Cite this record
CBID:102769 http://www.chembase.cn/molecule-102769.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
N-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)sulfamic acid
|
|
|
IUPAC Traditional name
|
N-(2,4-dioxo-1,3-dihydropyrimidin-5-yl)sulfamic acid
|
|
|
Synonyms
|
5-Sulfaminouracil
|
2,4-Dihydroxy-5-sulfaminopyrimidine
|
SULFAMINOURACIL
|
|
|
CAS Number
|
|
MDL Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
-1.5341839
|
H Acceptors
|
5
|
H Donor
|
4
|
LogD (pH = 5.5)
|
-4.683069
|
LogD (pH = 7.4)
|
-4.690134
|
Log P
|
-2.3065894
|
Molar Refractivity
|
39.8783 cm3
|
Polarizability
|
15.9452505 Å3
|
Polar Surface Area
|
124.6 Å2
|
Rotatable Bonds
|
1
|
Lipinski's Rule of Five
|
true
|
DETAILS
DETAILS
MP Biomedicals
PATENTS
PATENTS
PubChem Patent
Google Patent