2-(prop-2-enoylamino)propane-1-sulfonic acid

C6H11NO4S — CID 14008317

IUPAC2-(prop-2-enoylamino)propane-1-sulfonic acid
SMILESC=CC(=O)NC(C)CS(=O)(=O)O
InChIInChI=1S/C6H11NO4S/c1-3-6(8)7-5(2)4-12(9,10)11/h3,5H,1,4H2,2H3,(H,7,8)(H,9,10,11)
InChIKeyMVYVKSBVZFBBPL-UHFFFAOYSA-N
MW193.22 g/mol
LogP-0.44
Rot. Bonds4

About 2-(prop-2-enoylamino)propane-1-sulfonic acid

2-(prop-2-enoylamino)propane-1-sulfonic acid (PubChem CID 14008317) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-(prop-2-enoylamino)propane-1-sulfonic acid.

Molecular Properties

Compound Name2-(prop-2-enoylamino)propane-1-sulfonic acid
PubChem CID14008317
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Name2-(prop-2-enoylamino)propane-1-sulfonic acid
SMILESC=CC(=O)NC(C)CS(=O)(=O)O
InChIInChI=1S/C6H11NO4S/c1-3-6(8)7-5(2)4-12(9,10)11/h3,5H,1,4H2,2H3,(H,7,8)(H,9,10,11)
InChIKeyMVYVKSBVZFBBPL-UHFFFAOYSA-N
XLogP-0.44
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

2-Acrylamido-2-methyl-1-propanesulfonic acid
CID 65360
Sulfopropyl acrylamide
CID 9837021
1-Propanesulfonic acid, 2-methyl-3-[(1-oxo-2-propenyl)amino]-
CID 9837169
Ethanesulfonic acid, 2-[(1-oxo-2-propenyl)amino]-
CID 9920530
2-(Acrylamido)-dodecanesulfonic acid
CID 9966823
Acrylamido-dimethylethane-sulfonic acid
CID 10081756
Acrylamidopropane sulfonic acid
CID 11528501
Acrylamidomethyl-propane sulfonic acid
CID 13742943
Dimethyl-[2-(prop-2-enoylamino)ethyl]-(3-sulfopropyl)azanium
CID 18793243
2-Acrylamido-methyl propane sulfonic acid
CID 20466163
Acrylamido-2-methylpropane sulfonic acid
CID 21454285
1-(Prop-2-enoylamino)butane-1-sulfonic acid
CID 21454305

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enoylamino)propane-1-sulfonic acid?
The IUPAC name of 2-(prop-2-enoylamino)propane-1-sulfonic acid (CID 14008317) is 2-(prop-2-enoylamino)propane-1-sulfonic acid.
What is the SMILES notation for 2-(prop-2-enoylamino)propane-1-sulfonic acid?
The canonical SMILES for 2-(prop-2-enoylamino)propane-1-sulfonic acid is C=CC(=O)NC(C)CS(=O)(=O)O.
What is the InChIKey of 2-(prop-2-enoylamino)propane-1-sulfonic acid?
The InChIKey is MVYVKSBVZFBBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4S/c1-3-6(8)7-5(2)4-12(9,10)11/h3,5H,1,4H2,2H3,(H,7,8)(H,9,10,11).
What are the key properties of 2-(prop-2-enoylamino)propane-1-sulfonic acid?
2-(prop-2-enoylamino)propane-1-sulfonic acid has a molecular weight of 193.22 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoylamino)propane-1-sulfonic acid is sourced from PubChem (CID 14008317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).