2-(1-aminoprop-2-enylideneamino)-2-methylpropane-1-sulfonic acid

C7H14N2O3S — CID 71365629

IUPAC2-(1-aminoprop-2-enylideneamino)-2-methylpropane-1-sulfonic acid
SMILESC=C/C(N)=N\C(C)(C)CS(=O)(=O)O
InChIInChI=1S/C7H14N2O3S/c1-4-6(8)9-7(2,3)5-13(10,11)12/h4H,1,5H2,2-3H3,(H2,8,9)(H,10,11,12)
InChIKeyVEKSLPUKXMERMM-UHFFFAOYSA-N
MW206.27 g/mol
LogP0.20
Rot. Bonds4

About 2-(1-aminoprop-2-enylideneamino)-2-methylpropane-1-sulfonic acid

2-(1-aminoprop-2-enylideneamino)-2-methylpropane-1-sulfonic acid (PubChem CID 71365629) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-(1-aminoprop-2-enylideneamino)-2-methylpropane-1-sulfonic acid.

Molecular Properties

Compound Name2-(1-aminoprop-2-enylideneamino)-2-methylpropane-1-sulfonic acid
PubChem CID71365629
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name2-(1-aminoprop-2-enylideneamino)-2-methylpropane-1-sulfonic acid
SMILESC=C/C(N)=N\C(C)(C)CS(=O)(=O)O
InChIInChI=1S/C7H14N2O3S/c1-4-6(8)9-7(2,3)5-13(10,11)12/h4H,1,5H2,2-3H3,(H2,8,9)(H,10,11,12)
InChIKeyVEKSLPUKXMERMM-UHFFFAOYSA-N
XLogP0.20
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-(1-aminoprop-2-enylideneamino)-2-methylpropane-1-sulfonic acid 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

2,2-dimethyl-3-oxopent-4-ene-1-sulfonic acid
CID 18324556
2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;dihydrate
CID 141386572
alumane;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid
CID 173293073
CID 172770714
CID 172770714
3-methylbut-2-enamide;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid
CID 131740959
sodium;methanolate;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid
CID 175540739
potassium;sodium;hydride;bis(2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid)
CID 175213008
2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;1-methylsulfonylethene
CID 157315544
2,3,3-trimethyl-2-(prop-2-enoylamino)butane-1-sulfonic acid
CID 175545779
2-hydroxy-2-methylpropane-1-sulfonic acid
CID 18457605
2,2-dihydroxypropane-1-sulfonic acid
CID 141290774
2-hydroxy-2-methyl-3-(prop-2-enoylamino)propane-1-sulfonic acid
CID 174974804

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoprop-2-enylideneamino)-2-methylpropane-1-sulfonic acid?
The IUPAC name of 2-(1-aminoprop-2-enylideneamino)-2-methylpropane-1-sulfonic acid (CID 71365629) is 2-(1-aminoprop-2-enylideneamino)-2-methylpropane-1-sulfonic acid.
What is the SMILES notation for 2-(1-aminoprop-2-enylideneamino)-2-methylpropane-1-sulfonic acid?
The canonical SMILES for 2-(1-aminoprop-2-enylideneamino)-2-methylpropane-1-sulfonic acid is C=C/C(N)=N\C(C)(C)CS(=O)(=O)O.
What is the InChIKey of 2-(1-aminoprop-2-enylideneamino)-2-methylpropane-1-sulfonic acid?
The InChIKey is VEKSLPUKXMERMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-4-6(8)9-7(2,3)5-13(10,11)12/h4H,1,5H2,2-3H3,(H2,8,9)(H,10,11,12).
What are the key properties of 2-(1-aminoprop-2-enylideneamino)-2-methylpropane-1-sulfonic acid?
2-(1-aminoprop-2-enylideneamino)-2-methylpropane-1-sulfonic acid has a molecular weight of 206.27 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoprop-2-enylideneamino)-2-methylpropane-1-sulfonic acid is sourced from PubChem (CID 71365629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).