Home > Compound List > Compound details
162104270 molecular structure
click picture or here to close

3-(sulfoamino)propan-1-ol

ChemBase ID: 72217
Molecular Formular: C3H9NO4S
Molecular Mass: 155.17286
Monoisotopic Mass: 155.02522877
SMILES and InChIs

SMILES:
S(=O)(=O)(NCCCO)O
Canonical SMILES:
OCCCNS(=O)(=O)O
InChI:
InChI=1S/C3H9NO4S/c5-3-1-2-4-9(6,7)8/h4-5H,1-3H2,(H,6,7,8)
InChIKey:
MDYZYBNXGNBMGE-UHFFFAOYSA-N

Cite this record

CBID:72217 http://www.chembase.cn/molecule-72217.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(sulfoamino)propan-1-ol
IUPAC Traditional name
3-(sulfoamino)propan-1-ol
Synonyms
(3-Hydroxypropyl)sulfamic acid
PubChem SID
162104270
PubChem CID
2733143

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
077840 external link Add to cart Please log in.
Data Source Data ID
PubChem 2733143 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -1.1822164  H Acceptors
H Donor LogD (pH = 5.5) -4.1992717 
LogD (pH = 7.4) -4.1992936  Log P -3.005839 
Molar Refractivity 31.3606 cm3 Polarizability 13.056078 Å3
Polar Surface Area 86.63 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle