(4-amino-2-hydroxybutyl) methyl sulfate;azane

C5H16N2O5S — CID 87089035

IUPAC(4-amino-2-hydroxybutyl) methyl sulfate;azane
SMILESCOS(=O)(=O)OCC(O)CCN.N
InChIInChI=1S/C5H13NO5S.H3N/c1-10-12(8,9)11-4-5(7)2-3-6;/h5,7H,2-4,6H2,1H3;1H3
InChIKeyVOOWBFZPGRCUGH-UHFFFAOYSA-N
MW216.26 g/mol
LogP-1.23
Rot. Bonds6

About (4-amino-2-hydroxybutyl) methyl sulfate;azane

(4-amino-2-hydroxybutyl) methyl sulfate;azane (PubChem CID 87089035) has the molecular formula C5H16N2O5S and a molecular weight of 216.26 g/mol. Its IUPAC name is (4-amino-2-hydroxybutyl) methyl sulfate;azane.

Molecular Properties

Compound Name(4-amino-2-hydroxybutyl) methyl sulfate;azane
PubChem CID87089035
Molecular FormulaC5H16N2O5S
Molecular Weight216.26 g/mol
Exact Mass216.08
IUPAC Name(4-amino-2-hydroxybutyl) methyl sulfate;azane
SMILESCOS(=O)(=O)OCC(O)CCN.N
InChIInChI=1S/C5H13NO5S.H3N/c1-10-12(8,9)11-4-5(7)2-3-6;/h5,7H,2-4,6H2,1H3;1H3
InChIKeyVOOWBFZPGRCUGH-UHFFFAOYSA-N
XLogP-1.23
TPSA133.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2-hydroxybutyl) methyl sulfate;azane?
The IUPAC name of (4-amino-2-hydroxybutyl) methyl sulfate;azane (CID 87089035) is (4-amino-2-hydroxybutyl) methyl sulfate;azane.
What is the SMILES notation for (4-amino-2-hydroxybutyl) methyl sulfate;azane?
The canonical SMILES for (4-amino-2-hydroxybutyl) methyl sulfate;azane is COS(=O)(=O)OCC(O)CCN.N.
What is the InChIKey of (4-amino-2-hydroxybutyl) methyl sulfate;azane?
The InChIKey is VOOWBFZPGRCUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO5S.H3N/c1-10-12(8,9)11-4-5(7)2-3-6;/h5,7H,2-4,6H2,1H3;1H3.
What are the key properties of (4-amino-2-hydroxybutyl) methyl sulfate;azane?
(4-amino-2-hydroxybutyl) methyl sulfate;azane has a molecular weight of 216.26 g/mol, XLogP of -1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-hydroxybutyl) methyl sulfate;azane is sourced from PubChem (CID 87089035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).