ethyl hydrogen sulfate;1,2,3,4-tetramethylimidazolidine

C9H22N2O4S — CID 175128621

IUPACethyl hydrogen sulfate;1,2,3,4-tetramethylimidazolidine
SMILESCC1CN(C)C(C)N1C.CCOS(=O)(=O)O
InChIInChI=1S/C7H16N2.C2H6O4S/c1-6-5-8(3)7(2)9(6)4;1-2-6-7(3,4)5/h6-7H,5H2,1-4H3;2H2,1H3,(H,3,4,5)
InChIKeyMKRVSPUOPXKWHV-UHFFFAOYSA-N
MW254.35 g/mol
LogP0.42
Rot. Bonds2

About ethyl hydrogen sulfate;1,2,3,4-tetramethylimidazolidine

ethyl hydrogen sulfate;1,2,3,4-tetramethylimidazolidine (PubChem CID 175128621) has the molecular formula C9H22N2O4S and a molecular weight of 254.35 g/mol. Its IUPAC name is ethyl hydrogen sulfate;1,2,3,4-tetramethylimidazolidine.

Molecular Properties

Compound Nameethyl hydrogen sulfate;1,2,3,4-tetramethylimidazolidine
PubChem CID175128621
Molecular FormulaC9H22N2O4S
Molecular Weight254.35 g/mol
Exact Mass254.13
IUPAC Nameethyl hydrogen sulfate;1,2,3,4-tetramethylimidazolidine
SMILESCC1CN(C)C(C)N1C.CCOS(=O)(=O)O
InChIInChI=1S/C7H16N2.C2H6O4S/c1-6-5-8(3)7(2)9(6)4;1-2-6-7(3,4)5/h6-7H,5H2,1-4H3;2H2,1H3,(H,3,4,5)
InChIKeyMKRVSPUOPXKWHV-UHFFFAOYSA-N
XLogP0.42
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl hydrogen sulfate;1,2,3,4-tetramethylimidazolidine?
The IUPAC name of ethyl hydrogen sulfate;1,2,3,4-tetramethylimidazolidine (CID 175128621) is ethyl hydrogen sulfate;1,2,3,4-tetramethylimidazolidine.
What is the SMILES notation for ethyl hydrogen sulfate;1,2,3,4-tetramethylimidazolidine?
The canonical SMILES for ethyl hydrogen sulfate;1,2,3,4-tetramethylimidazolidine is CC1CN(C)C(C)N1C.CCOS(=O)(=O)O.
What is the InChIKey of ethyl hydrogen sulfate;1,2,3,4-tetramethylimidazolidine?
The InChIKey is MKRVSPUOPXKWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C2H6O4S/c1-6-5-8(3)7(2)9(6)4;1-2-6-7(3,4)5/h6-7H,5H2,1-4H3;2H2,1H3,(H,3,4,5).
What are the key properties of ethyl hydrogen sulfate;1,2,3,4-tetramethylimidazolidine?
ethyl hydrogen sulfate;1,2,3,4-tetramethylimidazolidine has a molecular weight of 254.35 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl hydrogen sulfate;1,2,3,4-tetramethylimidazolidine is sourced from PubChem (CID 175128621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).