azane;methyl 2-methylbutan-2-yl sulfate

C6H17NO4S — CID 174528913

IUPACazane;methyl 2-methylbutan-2-yl sulfate
SMILESCCC(C)(C)OS(=O)(=O)OC.N
InChIInChI=1S/C6H14O4S.H3N/c1-5-6(2,3)10-11(7,8)9-4;/h5H2,1-4H3;1H3
InChIKeyJWGNYEAFVUZEIR-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.24
Rot. Bonds4

About azane;methyl 2-methylbutan-2-yl sulfate

azane;methyl 2-methylbutan-2-yl sulfate (PubChem CID 174528913) has the molecular formula C6H17NO4S and a molecular weight of 199.27 g/mol. Its IUPAC name is azane;methyl 2-methylbutan-2-yl sulfate.

Molecular Properties

Compound Nameazane;methyl 2-methylbutan-2-yl sulfate
PubChem CID174528913
Molecular FormulaC6H17NO4S
Molecular Weight199.27 g/mol
Exact Mass199.09
IUPAC Nameazane;methyl 2-methylbutan-2-yl sulfate
SMILESCCC(C)(C)OS(=O)(=O)OC.N
InChIInChI=1S/C6H14O4S.H3N/c1-5-6(2,3)10-11(7,8)9-4;/h5H2,1-4H3;1H3
InChIKeyJWGNYEAFVUZEIR-UHFFFAOYSA-N
XLogP1.24
TPSA87.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze azane;methyl 2-methylbutan-2-yl sulfate 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

azane;methyl [2-methyl-1-(pentylamino)propan-2-yl] sulfate
CID 174502970
methyl [2-methyl-1-(pentylamino)propan-2-yl] sulfate
CID 174502971
[1-(dimethylamino)-1-methoxypropyl] methyl sulfate
CID 134894052
CID 86609602
CID 86609602
3-hydroxy-3-methoxysulfonyloxy-2-methylbutanoic acid
CID 174872694
potassium;dimethyl sulfate;hydroxide
CID 88595452
[diethyl(methyl)-lambda4-sulfanyl] methyl sulfate
CID 14073041
ethyl-methoxy-oxo-sulfanylidene-λ6-sulfane
CID 59395365
2-methyl-2-methylsulfonylbutane
CID 20813325
2-methylbutan-2-yl 3-tert-butylbenzenesulfonate
CID 22436772
2-aminobutan-2-ol;dimethyl sulfate;hexadecan-1-ol
CID 174634255
azane;methyl octadecyl sulfate
CID 89401609

Frequently Asked Questions

What is the IUPAC name of azane;methyl 2-methylbutan-2-yl sulfate?
The IUPAC name of azane;methyl 2-methylbutan-2-yl sulfate (CID 174528913) is azane;methyl 2-methylbutan-2-yl sulfate.
What is the SMILES notation for azane;methyl 2-methylbutan-2-yl sulfate?
The canonical SMILES for azane;methyl 2-methylbutan-2-yl sulfate is CCC(C)(C)OS(=O)(=O)OC.N.
What is the InChIKey of azane;methyl 2-methylbutan-2-yl sulfate?
The InChIKey is JWGNYEAFVUZEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4S.H3N/c1-5-6(2,3)10-11(7,8)9-4;/h5H2,1-4H3;1H3.
What are the key properties of azane;methyl 2-methylbutan-2-yl sulfate?
azane;methyl 2-methylbutan-2-yl sulfate has a molecular weight of 199.27 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methyl 2-methylbutan-2-yl sulfate is sourced from PubChem (CID 174528913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).