azane;2-hydroxyethyl methyl sulfate

C3H11NO5S — CID 87122976

IUPACazane;2-hydroxyethyl methyl sulfate
SMILESCOS(=O)(=O)OCCO.N
InChIInChI=1S/C3H8O5S.H3N/c1-7-9(5,6)8-3-2-4;/h4H,2-3H2,1H3;1H3
InChIKeyLEJHFRLSJGDTLQ-UHFFFAOYSA-N
MW173.19 g/mol
LogP-0.95
Rot. Bonds4

About azane;2-hydroxyethyl methyl sulfate

azane;2-hydroxyethyl methyl sulfate (PubChem CID 87122976) has the molecular formula C3H11NO5S and a molecular weight of 173.19 g/mol. Its IUPAC name is azane;2-hydroxyethyl methyl sulfate.

Molecular Properties

Compound Nameazane;2-hydroxyethyl methyl sulfate
PubChem CID87122976
Molecular FormulaC3H11NO5S
Molecular Weight173.19 g/mol
Exact Mass173.04
IUPAC Nameazane;2-hydroxyethyl methyl sulfate
SMILESCOS(=O)(=O)OCCO.N
InChIInChI=1S/C3H8O5S.H3N/c1-7-9(5,6)8-3-2-4;/h4H,2-3H2,1H3;1H3
InChIKeyLEJHFRLSJGDTLQ-UHFFFAOYSA-N
XLogP-0.95
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydroxypropyl methyl sulfate
CID 54367099
bis(2-hydroxyethyl)-(2-methoxysulfonyloxyethyl)-methylazanium
CID 87410375
2-hydroxyethyl sulfanyl sulfate
CID 155762422
methyl 2-sulfanylethyl sulfate
CID 58758404
3,3-dihydroxypropyl methyl sulfate
CID 174855888
azane;methyl octadecyl sulfate
CID 89401609
methyl 3-oxopropyl sulfate
CID 54346494
2-methoxysulfonyloxyethyl(trimethyl)azanium
CID 57352198
methyl 4-methoxysulfonyloxybutanoate
CID 154641568
bis[2-(2-hydroxyethoxy)ethyl] sulfate
CID 139845365
CID 158400651
CID 158400651
butane-1,4-diol;methyl methanesulfonate
CID 175275162

Frequently Asked Questions

What is the IUPAC name of azane;2-hydroxyethyl methyl sulfate?
The IUPAC name of azane;2-hydroxyethyl methyl sulfate (CID 87122976) is azane;2-hydroxyethyl methyl sulfate.
What is the SMILES notation for azane;2-hydroxyethyl methyl sulfate?
The canonical SMILES for azane;2-hydroxyethyl methyl sulfate is COS(=O)(=O)OCCO.N.
What is the InChIKey of azane;2-hydroxyethyl methyl sulfate?
The InChIKey is LEJHFRLSJGDTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O5S.H3N/c1-7-9(5,6)8-3-2-4;/h4H,2-3H2,1H3;1H3.
What are the key properties of azane;2-hydroxyethyl methyl sulfate?
azane;2-hydroxyethyl methyl sulfate has a molecular weight of 173.19 g/mol, XLogP of -0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-hydroxyethyl methyl sulfate is sourced from PubChem (CID 87122976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).