3-(ethenylamino)propane-1-sulfonic acid

C5H11NO3S — CID 154323787

IUPAC3-(ethenylamino)propane-1-sulfonic acid
SMILESC=CNCCCS(=O)(=O)O
InChIInChI=1S/C5H11NO3S/c1-2-6-4-3-5-10(7,8)9/h2,6H,1,3-5H2,(H,7,8,9)
InChIKeyYDTFOPNQWRAXPM-UHFFFAOYSA-N
MW165.21 g/mol
LogP-0.00
Rot. Bonds5

About 3-(ethenylamino)propane-1-sulfonic acid

3-(ethenylamino)propane-1-sulfonic acid (PubChem CID 154323787) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is 3-(ethenylamino)propane-1-sulfonic acid.

Molecular Properties

Compound Name3-(ethenylamino)propane-1-sulfonic acid
PubChem CID154323787
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Name3-(ethenylamino)propane-1-sulfonic acid
SMILESC=CNCCCS(=O)(=O)O
InChIInChI=1S/C5H11NO3S/c1-2-6-4-3-5-10(7,8)9/h2,6H,1,3-5H2,(H,7,8,9)
InChIKeyYDTFOPNQWRAXPM-UHFFFAOYSA-N
XLogP-0.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-formamidobutane-1-sulfonic acid
CID 87328027
butane-1,4-disulfonic acid;ethene
CID 173210763
4-(buta-1,3-dien-2-ylamino)butane-1-sulfonic acid
CID 166752746
8-(prop-2-enoylamino)octane-1-sulfonic acid
CID 21454264
2-(but-3-enylamino)ethanesulfonic acid
CID 87607348
3-(undec-10-enoylamino)propane-1-sulfonic acid
CID 101283812
octane-1,8-disulfonic acid
CID 18172926
CID 88853027
CID 88853027
3-[(2-hydroxy-2-methylpropyl)amino]propane-1-sulfonic acid
CID 138690579
3-(2-aminoethylamino)propane-1-sulfonic acid;azane
CID 175205538
N-ethenylhept-6-en-1-amine
CID 145124117
N-ethenyltetradecan-1-amine
CID 175788828

Frequently Asked Questions

What is the IUPAC name of 3-(ethenylamino)propane-1-sulfonic acid?
The IUPAC name of 3-(ethenylamino)propane-1-sulfonic acid (CID 154323787) is 3-(ethenylamino)propane-1-sulfonic acid.
What is the SMILES notation for 3-(ethenylamino)propane-1-sulfonic acid?
The canonical SMILES for 3-(ethenylamino)propane-1-sulfonic acid is C=CNCCCS(=O)(=O)O.
What is the InChIKey of 3-(ethenylamino)propane-1-sulfonic acid?
The InChIKey is YDTFOPNQWRAXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S/c1-2-6-4-3-5-10(7,8)9/h2,6H,1,3-5H2,(H,7,8,9).
What are the key properties of 3-(ethenylamino)propane-1-sulfonic acid?
3-(ethenylamino)propane-1-sulfonic acid has a molecular weight of 165.21 g/mol, XLogP of -0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethenylamino)propane-1-sulfonic acid is sourced from PubChem (CID 154323787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).