bis(2-methylprop-2-enoylamino) sulfate

C8H12N2O6S — CID 174631095

IUPACbis(2-methylprop-2-enoylamino) sulfate
SMILESC=C(C)C(=O)NOS(=O)(=O)ONC(=O)C(=C)C
InChIInChI=1S/C8H12N2O6S/c1-5(2)7(11)9-15-17(13,14)16-10-8(12)6(3)4/h1,3H2,2,4H3,(H,9,11)(H,10,12)
InChIKeyTWXQPWLAFSFUEN-UHFFFAOYSA-N
MW264.26 g/mol
LogP-0.52
Rot. Bonds6

About bis(2-methylprop-2-enoylamino) sulfate

bis(2-methylprop-2-enoylamino) sulfate (PubChem CID 174631095) has the molecular formula C8H12N2O6S and a molecular weight of 264.26 g/mol. Its IUPAC name is bis(2-methylprop-2-enoylamino) sulfate.

Molecular Properties

Compound Namebis(2-methylprop-2-enoylamino) sulfate
PubChem CID174631095
Molecular FormulaC8H12N2O6S
Molecular Weight264.26 g/mol
Exact Mass264.04
IUPAC Namebis(2-methylprop-2-enoylamino) sulfate
SMILESC=C(C)C(=O)NOS(=O)(=O)ONC(=O)C(=C)C
InChIInChI=1S/C8H12N2O6S/c1-5(2)7(11)9-15-17(13,14)16-10-8(12)6(3)4/h1,3H2,2,4H3,(H,9,11)(H,10,12)
InChIKeyTWXQPWLAFSFUEN-UHFFFAOYSA-N
XLogP-0.52
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
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

diacetamido sulfate
CID 88749098
(2-methylprop-2-enoylamino) 3-hydroxypropane-1-sulfonate
CID 87793895
bis(2-methylprop-2-enoylamino) carbonate
CID 174523368
N-ethenoxy-2-methylprop-2-enamide
CID 102118163
(2-methylprop-2-enoylamino) 2-methoxyiminoacetate
CID 174478351
2-methyl-N-(prop-2-enoylamino)oxyprop-2-enamide
CID 143303309
bis(2-methylprop-2-enoylamino)methanesulfonate
CID 140789010
2-methyl-N-(2-methylprop-2-enoylcarbamoyl)prop-2-enamide
CID 14817903
N,2-dimethylprop-2-enamide;ethane
CID 142291054
sodium;hydride;propan-2-yl N-(2-methylprop-2-enoyl)sulfamate
CID 175018633
N-(2-amino-2-methylsulfonylethyl)-2-methylprop-2-enamide
CID 174440551
N-(1-hydroxyethenyl)-2-methylprop-2-enamide
CID 174577557

Frequently Asked Questions

What is the IUPAC name of bis(2-methylprop-2-enoylamino) sulfate?
The IUPAC name of bis(2-methylprop-2-enoylamino) sulfate (CID 174631095) is bis(2-methylprop-2-enoylamino) sulfate.
What is the SMILES notation for bis(2-methylprop-2-enoylamino) sulfate?
The canonical SMILES for bis(2-methylprop-2-enoylamino) sulfate is C=C(C)C(=O)NOS(=O)(=O)ONC(=O)C(=C)C.
What is the InChIKey of bis(2-methylprop-2-enoylamino) sulfate?
The InChIKey is TWXQPWLAFSFUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O6S/c1-5(2)7(11)9-15-17(13,14)16-10-8(12)6(3)4/h1,3H2,2,4H3,(H,9,11)(H,10,12).
What are the key properties of bis(2-methylprop-2-enoylamino) sulfate?
bis(2-methylprop-2-enoylamino) sulfate has a molecular weight of 264.26 g/mol, XLogP of -0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylprop-2-enoylamino) sulfate is sourced from PubChem (CID 174631095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).