2-(dimethylamino)ethyl hydrogen sulfate

C4H11NO4S — CID 12574414

IUPAC2-(dimethylamino)ethyl hydrogen sulfate
SMILESCN(C)CCOS(=O)(=O)O
InChIInChI=1S/C4H11NO4S/c1-5(2)3-4-9-10(6,7)8/h3-4H2,1-2H3,(H,6,7,8)
InChIKeyWYVFVMUROJPJSS-UHFFFAOYSA-N
MW169.20 g/mol
LogP-0.63
Rot. Bonds4

About 2-(dimethylamino)ethyl hydrogen sulfate

2-(dimethylamino)ethyl hydrogen sulfate (PubChem CID 12574414) has the molecular formula C4H11NO4S and a molecular weight of 169.20 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl hydrogen sulfate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl hydrogen sulfate
PubChem CID12574414
Molecular FormulaC4H11NO4S
Molecular Weight169.20 g/mol
Exact Mass169.04
IUPAC Name2-(dimethylamino)ethyl hydrogen sulfate
SMILESCN(C)CCOS(=O)(=O)O
InChIInChI=1S/C4H11NO4S/c1-5(2)3-4-9-10(6,7)8/h3-4H2,1-2H3,(H,6,7,8)
InChIKeyWYVFVMUROJPJSS-UHFFFAOYSA-N
XLogP-0.63
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)ethyl hydrogen sulfate;2-methylprop-2-enoic acid
CID 158681653
methanesulfonic acid;2-methoxy-N,N-dimethylethanamine
CID 174574685
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl hydrogen sulfate
CID 173011820
propyl hydrogen sulfate;hydrate
CID 88639002
N,N-dimethylpropan-1-amine;methyl hydrogen sulfate
CID 174895397
2-(dimethylamino)ethyl carbonochloridate;methanesulfonic acid
CID 174735571
azane;N,N-dimethylmethanamine;octyl hydrogen sulfate
CID 174666846
methanamine;propyl hydrogen sulfate
CID 174898654
2-[methyl-[(2S)-4-methyl-2-[(2S)-4-methyl-1-[methyl(2-sulfooxyethyl)amino]-1-oxopentan-2-yl]oxypentanoyl]amino]ethyl hydrogen sulfate
CID 153409040
2-(dimethylamino)ethanol;sulfuric acid
CID 11557415
2-methylsulfanylethyl hydrogen sulfate
CID 59815369
3,3-dimethylbutyl hydrogen sulfate
CID 22662185

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl hydrogen sulfate?
The IUPAC name of 2-(dimethylamino)ethyl hydrogen sulfate (CID 12574414) is 2-(dimethylamino)ethyl hydrogen sulfate.
What is the SMILES notation for 2-(dimethylamino)ethyl hydrogen sulfate?
The canonical SMILES for 2-(dimethylamino)ethyl hydrogen sulfate is CN(C)CCOS(=O)(=O)O.
What is the InChIKey of 2-(dimethylamino)ethyl hydrogen sulfate?
The InChIKey is WYVFVMUROJPJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO4S/c1-5(2)3-4-9-10(6,7)8/h3-4H2,1-2H3,(H,6,7,8).
What are the key properties of 2-(dimethylamino)ethyl hydrogen sulfate?
2-(dimethylamino)ethyl hydrogen sulfate has a molecular weight of 169.20 g/mol, XLogP of -0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl hydrogen sulfate is sourced from PubChem (CID 12574414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).