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

C10H18N2O5S — CID 86735510

IUPAC2-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
InChIInChI=1S/C7H13NO4S.C3H5NO/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)
InChIKeyOSSFJJDHTYIZPA-UHFFFAOYSA-N
MW278.33 g/mol
LogP-0.39
Rot. Bonds5

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

2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;prop-2-enamide (PubChem CID 86735510) has the molecular formula C10H18N2O5S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;prop-2-enamide.

Molecular Properties

Compound Name2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;prop-2-enamide
PubChem CID86735510
Molecular FormulaC10H18N2O5S
Molecular Weight278.33 g/mol
Exact Mass278.09
IUPAC Name2-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
InChIInChI=1S/C7H13NO4S.C3H5NO/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)
InChIKeyOSSFJJDHTYIZPA-UHFFFAOYSA-N
XLogP-0.39
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;prop-2-enamide?
The IUPAC name of 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;prop-2-enamide (CID 86735510) is 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;prop-2-enamide.
What is the SMILES notation for 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;prop-2-enamide?
The canonical SMILES for 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.
What is the InChIKey of 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;prop-2-enamide?
The InChIKey is OSSFJJDHTYIZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S.C3H5NO/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).
What are the key properties of 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;prop-2-enamide?
2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;prop-2-enamide has a molecular weight of 278.33 g/mol, XLogP of -0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;prop-2-enamide is sourced from PubChem (CID 86735510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).