azane;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;prop-2-enamide

C10H21N3O5S — CID 138397026

IUPACazane;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;prop-2-enamide
SMILESC=CC(=O)NC(C)(C)CS(=O)(=O)O.C=CC(N)=O.N
InChIInChI=1S/C7H13NO4S.C3H5NO.H3N/c1-4-6(9)8-7(2,3)5-13(10,11)12;1-2-3(4)5;/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12);2H,1H2,(H2,4,5);1H3
InChIKeyRFFAZLVYGSFJMV-UHFFFAOYSA-N
MW295.36 g/mol
LogP-0.23
Rot. Bonds5

About azane;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;prop-2-enamide

azane;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;prop-2-enamide (PubChem CID 138397026) has the molecular formula C10H21N3O5S and a molecular weight of 295.36 g/mol. Its IUPAC name is azane;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;prop-2-enamide.

Molecular Properties

Compound Nameazane;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;prop-2-enamide
PubChem CID138397026
Molecular FormulaC10H21N3O5S
Molecular Weight295.36 g/mol
Exact Mass295.12
IUPAC Nameazane;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;prop-2-enamide
SMILESC=CC(=O)NC(C)(C)CS(=O)(=O)O.C=CC(N)=O.N
InChIInChI=1S/C7H13NO4S.C3H5NO.H3N/c1-4-6(9)8-7(2,3)5-13(10,11)12;1-2-3(4)5;/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12);2H,1H2,(H2,4,5);1H3
InChIKeyRFFAZLVYGSFJMV-UHFFFAOYSA-N
XLogP-0.23
TPSA161.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-Acrylamido-2-methyl-1-propanesulfonic acid
CID 65360
Sodium acryloyldimethyltaurate
CID 23665719
Potassium 2-acrylamido-2-methylpropanesulfonate
CID 23663699
Ammonium acryloyldimethyltaurate
CID 6850854
2-Methyl-2-(prop-2-enoylazaniumyl)propane-1-sulfonate
CID 177423934
Calcium 2-acrylamido-2-methylpropanesulfonate
CID 72941626
Unii-1dxe3F3ozx
CID 44151507
CID 13628857
CID 13628857
2-acrylamido-2-methylpropanesulfonic acid lithium salt
CID 72941599
CID 86598584
CID 86598584
CID 86598585
CID 86598585
Acrylamide 2-Acrylamido-2-Methyl Propyl Sulfonic Acid
CID 86735510

Frequently Asked Questions

What is the IUPAC name of azane;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;prop-2-enamide?
The IUPAC name of azane;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;prop-2-enamide (CID 138397026) is azane;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;prop-2-enamide.
What is the SMILES notation for azane;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;prop-2-enamide?
The canonical SMILES for azane;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;prop-2-enamide is C=CC(=O)NC(C)(C)CS(=O)(=O)O.C=CC(N)=O.N.
What is the InChIKey of azane;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;prop-2-enamide?
The InChIKey is RFFAZLVYGSFJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S.C3H5NO.H3N/c1-4-6(9)8-7(2,3)5-13(10,11)12;1-2-3(4)5;/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12);2H,1H2,(H2,4,5);1H3.
What are the key properties of azane;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;prop-2-enamide?
azane;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;prop-2-enamide has a molecular weight of 295.36 g/mol, XLogP of -0.23, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;prop-2-enamide is sourced from PubChem (CID 138397026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).