(E)-3-aminoprop-1-ene-1-sulfonic acid

C3H7NO3S — CID 87091905

IUPAC(E)-3-aminoprop-1-ene-1-sulfonic acid
SMILESNC/C=C/S(=O)(=O)O
InChIInChI=1S/C3H7NO3S/c4-2-1-3-8(5,6)7/h1,3H,2,4H2,(H,5,6,7)/b3-1+
InChIKeyFFNNBNMZRPULJC-HNQUOIGGSA-N
MW137.16 g/mol
LogP-0.65
Rot. Bonds2

About (E)-3-aminoprop-1-ene-1-sulfonic acid

(E)-3-aminoprop-1-ene-1-sulfonic acid (PubChem CID 87091905) has the molecular formula C3H7NO3S and a molecular weight of 137.16 g/mol. Its IUPAC name is (E)-3-aminoprop-1-ene-1-sulfonic acid.

Molecular Properties

Compound Name(E)-3-aminoprop-1-ene-1-sulfonic acid
PubChem CID87091905
Molecular FormulaC3H7NO3S
Molecular Weight137.16 g/mol
Exact Mass137.01
IUPAC Name(E)-3-aminoprop-1-ene-1-sulfonic acid
SMILESNC/C=C/S(=O)(=O)O
InChIInChI=1S/C3H7NO3S/c4-2-1-3-8(5,6)7/h1,3H,2,4H2,(H,5,6,7)/b3-1+
InChIKeyFFNNBNMZRPULJC-HNQUOIGGSA-N
XLogP-0.65
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 5-0.65
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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Related Compounds

3-aminoprop-1-ene-1-sulfonamide
CID 87526420
3-methoxyprop-1-ene-1-sulfonic acid
CID 154493989
methyl (E)-3-aminoprop-1-ene-1-sulfonate
CID 135138121
(Z)-3-pyrrolidin-1-ylprop-1-ene-1-sulfonic acid
CID 168863072
(E)-octadec-1-ene-1-sulfonic acid
CID 6437334
3-(oxiran-2-yl)prop-1-ene-1-sulfonic acid
CID 57221391
benzenesulfonic acid;but-1-ene-1-sulfonic acid
CID 162058011
lithium;hydride;tetradec-1-ene-1-sulfonic acid
CID 173398545
(Z)-prop-1-ene-1-sulfonic acid
CID 59687204
sodium;hydride;oct-1-ene-1-sulfonic acid
CID 173113775
ethanesulfonic acid;prop-2-en-1-amine
CID 87401120
3-(2-methylprop-2-enoylamino)prop-1-ene-1-sulfonic acid
CID 173290774

Frequently Asked Questions

What is the IUPAC name of (E)-3-aminoprop-1-ene-1-sulfonic acid?
The IUPAC name of (E)-3-aminoprop-1-ene-1-sulfonic acid (CID 87091905) is (E)-3-aminoprop-1-ene-1-sulfonic acid.
What is the SMILES notation for (E)-3-aminoprop-1-ene-1-sulfonic acid?
The canonical SMILES for (E)-3-aminoprop-1-ene-1-sulfonic acid is NC/C=C/S(=O)(=O)O.
What is the InChIKey of (E)-3-aminoprop-1-ene-1-sulfonic acid?
The InChIKey is FFNNBNMZRPULJC-HNQUOIGGSA-N. The full InChI is InChI=1S/C3H7NO3S/c4-2-1-3-8(5,6)7/h1,3H,2,4H2,(H,5,6,7)/b3-1+.
What are the key properties of (E)-3-aminoprop-1-ene-1-sulfonic acid?
(E)-3-aminoprop-1-ene-1-sulfonic acid has a molecular weight of 137.16 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-aminoprop-1-ene-1-sulfonic acid is sourced from PubChem (CID 87091905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).