(Z)-3-(tert-butylamino)prop-1-ene-1-sulfonic acid

C7H15NO3S — CID 58053027

IUPAC(Z)-3-(tert-butylamino)prop-1-ene-1-sulfonic acid
SMILESCC(C)(C)NC/C=C\S(=O)(=O)O
InChIInChI=1S/C7H15NO3S/c1-7(2,3)8-5-4-6-12(9,10)11/h4,6,8H,5H2,1-3H3,(H,9,10,11)/b6-4-
InChIKeyGGXCXZLMUXWPRE-XQRVVYSFSA-N
MW193.27 g/mol
LogP0.78
Rot. Bonds3

About (Z)-3-(tert-butylamino)prop-1-ene-1-sulfonic acid

(Z)-3-(tert-butylamino)prop-1-ene-1-sulfonic acid (PubChem CID 58053027) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is (Z)-3-(tert-butylamino)prop-1-ene-1-sulfonic acid.

Molecular Properties

Compound Name(Z)-3-(tert-butylamino)prop-1-ene-1-sulfonic acid
PubChem CID58053027
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name(Z)-3-(tert-butylamino)prop-1-ene-1-sulfonic acid
SMILESCC(C)(C)NC/C=C\S(=O)(=O)O
InChIInChI=1S/C7H15NO3S/c1-7(2,3)8-5-4-6-12(9,10)11/h4,6,8H,5H2,1-3H3,(H,9,10,11)/b6-4-
InChIKeyGGXCXZLMUXWPRE-XQRVVYSFSA-N
XLogP0.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(tert-butylamino)prop-1-ene-1-sulfonic acid?
The IUPAC name of (Z)-3-(tert-butylamino)prop-1-ene-1-sulfonic acid (CID 58053027) is (Z)-3-(tert-butylamino)prop-1-ene-1-sulfonic acid.
What is the SMILES notation for (Z)-3-(tert-butylamino)prop-1-ene-1-sulfonic acid?
The canonical SMILES for (Z)-3-(tert-butylamino)prop-1-ene-1-sulfonic acid is CC(C)(C)NC/C=C\S(=O)(=O)O.
What is the InChIKey of (Z)-3-(tert-butylamino)prop-1-ene-1-sulfonic acid?
The InChIKey is GGXCXZLMUXWPRE-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-7(2,3)8-5-4-6-12(9,10)11/h4,6,8H,5H2,1-3H3,(H,9,10,11)/b6-4-.
What are the key properties of (Z)-3-(tert-butylamino)prop-1-ene-1-sulfonic acid?
(Z)-3-(tert-butylamino)prop-1-ene-1-sulfonic acid has a molecular weight of 193.27 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(tert-butylamino)prop-1-ene-1-sulfonic acid is sourced from PubChem (CID 58053027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).