amino [methyl(2-methylprop-2-enoyl)amino] sulfate

C5H10N2O5S — CID 174612869

IUPACamino [methyl(2-methylprop-2-enoyl)amino] sulfate
SMILESC=C(C)C(=O)N(C)OS(=O)(=O)ON
InChIInChI=1S/C5H10N2O5S/c1-4(2)5(8)7(3)12-13(9,10)11-6/h1,6H2,2-3H3
InChIKeyOOUUIEFGSYQZCL-UHFFFAOYSA-N
MW210.21 g/mol
LogP-0.91
Rot. Bonds4

About amino [methyl(2-methylprop-2-enoyl)amino] sulfate

amino [methyl(2-methylprop-2-enoyl)amino] sulfate (PubChem CID 174612869) has the molecular formula C5H10N2O5S and a molecular weight of 210.21 g/mol. Its IUPAC name is amino [methyl(2-methylprop-2-enoyl)amino] sulfate.

Molecular Properties

Compound Nameamino [methyl(2-methylprop-2-enoyl)amino] sulfate
PubChem CID174612869
Molecular FormulaC5H10N2O5S
Molecular Weight210.21 g/mol
Exact Mass210.03
IUPAC Nameamino [methyl(2-methylprop-2-enoyl)amino] sulfate
SMILESC=C(C)C(=O)N(C)OS(=O)(=O)ON
InChIInChI=1S/C5H10N2O5S/c1-4(2)5(8)7(3)12-13(9,10)11-6/h1,6H2,2-3H3
InChIKeyOOUUIEFGSYQZCL-UHFFFAOYSA-N
XLogP-0.91
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 58819112
CID 58819112
azane;N,N,2-trimethylprop-2-enamide
CID 162327856
bis(2-methylprop-2-enoylamino) sulfate
CID 174631095
N,2-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide
CID 171556430
N',N',2-trimethyl-N-prop-1-en-2-ylprop-2-enehydrazide
CID 15525104
N,N-diacetyl-2-methylprop-2-enamide
CID 22336365
N-(2-hydroxypropyl)-2-methylprop-2-enehydrazide
CID 174628871
N-(iodomethyl)-N,2-dimethylprop-2-enamide
CID 146497620
O-(3-methylbuta-1,3-dien-2-yl)hydroxylamine
CID 163955629
N-(1-aminoprop-2-enyl)-N,2-dimethylprop-2-enamide
CID 87537827
1-(dimethylamino)-1-hydroxypropane-1-sulfonic acid;ethyl 2-methylprop-2-enoate
CID 87169066
2-(dimethylamino)ethyl hydrogen sulfate;2-methylprop-2-enoic acid
CID 158681653

Frequently Asked Questions

What is the IUPAC name of amino [methyl(2-methylprop-2-enoyl)amino] sulfate?
The IUPAC name of amino [methyl(2-methylprop-2-enoyl)amino] sulfate (CID 174612869) is amino [methyl(2-methylprop-2-enoyl)amino] sulfate.
What is the SMILES notation for amino [methyl(2-methylprop-2-enoyl)amino] sulfate?
The canonical SMILES for amino [methyl(2-methylprop-2-enoyl)amino] sulfate is C=C(C)C(=O)N(C)OS(=O)(=O)ON.
What is the InChIKey of amino [methyl(2-methylprop-2-enoyl)amino] sulfate?
The InChIKey is OOUUIEFGSYQZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O5S/c1-4(2)5(8)7(3)12-13(9,10)11-6/h1,6H2,2-3H3.
What are the key properties of amino [methyl(2-methylprop-2-enoyl)amino] sulfate?
amino [methyl(2-methylprop-2-enoyl)amino] sulfate has a molecular weight of 210.21 g/mol, XLogP of -0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for amino [methyl(2-methylprop-2-enoyl)amino] sulfate is sourced from PubChem (CID 174612869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).