methyl hydrogen sulfate;N-propylhydroxylamine

C4H13NO5S — CID 173272383

IUPACmethyl hydrogen sulfate;N-propylhydroxylamine
SMILESCCCNO.COS(=O)(=O)O
InChIInChI=1S/C3H9NO.CH4O4S/c1-2-3-4-5;1-5-6(2,3)4/h4-5H,2-3H2,1H3;1H3,(H,2,3,4)
InChIKeyJEFBJJUHTHCLGY-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.19
Rot. Bonds3

About methyl hydrogen sulfate;N-propylhydroxylamine

methyl hydrogen sulfate;N-propylhydroxylamine (PubChem CID 173272383) has the molecular formula C4H13NO5S and a molecular weight of 187.22 g/mol. Its IUPAC name is methyl hydrogen sulfate;N-propylhydroxylamine.

Molecular Properties

Compound Namemethyl hydrogen sulfate;N-propylhydroxylamine
PubChem CID173272383
Molecular FormulaC4H13NO5S
Molecular Weight187.22 g/mol
Exact Mass187.05
IUPAC Namemethyl hydrogen sulfate;N-propylhydroxylamine
SMILESCCCNO.COS(=O)(=O)O
InChIInChI=1S/C3H9NO.CH4O4S/c1-2-3-4-5;1-5-6(2,3)4/h4-5H,2-3H2,1H3;1H3,(H,2,3,4)
InChIKeyJEFBJJUHTHCLGY-UHFFFAOYSA-N
XLogP-0.19
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze methyl hydrogen sulfate;N-propylhydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethylmethanamine;methyl hydrogen sulfate;N-methylpropan-1-amine
CID 174472980
N-ethylethanamine;methyl hydrogen sulfate
CID 88690329
methyl hydrogen sulfate;N-methyltetradecan-1-amine
CID 173229192
methyl hydrogen sulfate;hydrobromide
CID 87338714
copper;methyl hydrogen sulfate
CID 175275891
N,N-dimethylpropan-1-amine;methyl hydrogen sulfate
CID 174895397
2-(methylamino)ethanol;methyl hydrogen sulfate
CID 86001680
butanoyl chloride;methyl hydrogen sulfate
CID 158966623
methyl hydrogen sulfate;pentan-1-amine
CID 173267345
azane;ethene;methyl hydrogen sulfate
CID 175445348
methyl hydrogen sulfate;octadecan-1-amine
CID 173395931
N-methylpropan-1-amine;sulfuric acid
CID 159819552

Frequently Asked Questions

What is the IUPAC name of methyl hydrogen sulfate;N-propylhydroxylamine?
The IUPAC name of methyl hydrogen sulfate;N-propylhydroxylamine (CID 173272383) is methyl hydrogen sulfate;N-propylhydroxylamine.
What is the SMILES notation for methyl hydrogen sulfate;N-propylhydroxylamine?
The canonical SMILES for methyl hydrogen sulfate;N-propylhydroxylamine is CCCNO.COS(=O)(=O)O.
What is the InChIKey of methyl hydrogen sulfate;N-propylhydroxylamine?
The InChIKey is JEFBJJUHTHCLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO.CH4O4S/c1-2-3-4-5;1-5-6(2,3)4/h4-5H,2-3H2,1H3;1H3,(H,2,3,4).
What are the key properties of methyl hydrogen sulfate;N-propylhydroxylamine?
methyl hydrogen sulfate;N-propylhydroxylamine has a molecular weight of 187.22 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl hydrogen sulfate;N-propylhydroxylamine is sourced from PubChem (CID 173272383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).