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

C7H13NO4S — CID 10081756

IUPAC2-methyl-1-(prop-2-enoylamino)propane-2-sulfonic acid
SMILESC=CC(=O)NCC(C)(C)S(=O)(=O)O
InChIInChI=1S/C7H13NO4S/c1-4-6(9)8-5-7(2,3)13(10,11)12/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12)
InChIKeyOUEBZMGRFLTABC-UHFFFAOYSA-N
MW207.25 g/mol
LogP-0.05
Rot. Bonds4

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

2-methyl-1-(prop-2-enoylamino)propane-2-sulfonic acid (PubChem CID 10081756) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-methyl-1-(prop-2-enoylamino)propane-2-sulfonic acid.

Molecular Properties

Compound Name2-methyl-1-(prop-2-enoylamino)propane-2-sulfonic acid
PubChem CID10081756
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name2-methyl-1-(prop-2-enoylamino)propane-2-sulfonic acid
SMILESC=CC(=O)NCC(C)(C)S(=O)(=O)O
InChIInChI=1S/C7H13NO4S/c1-4-6(9)8-5-7(2,3)13(10,11)12/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12)
InChIKeyOUEBZMGRFLTABC-UHFFFAOYSA-N
XLogP-0.05
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.05
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

Acrylamido-methylpropane sulphonic acid
CID 62910
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
Acrylamidopropane sulfonic acid
CID 11528501
Acrylamidomethyl-propane sulfonic acid
CID 13742943
2-(Acryloylamino)propane-1-sulfonic acid
CID 14008317
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
Acrylamidopropane sulfonic acid sodium salt
CID 23662738

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(prop-2-enoylamino)propane-2-sulfonic acid?
The IUPAC name of 2-methyl-1-(prop-2-enoylamino)propane-2-sulfonic acid (CID 10081756) is 2-methyl-1-(prop-2-enoylamino)propane-2-sulfonic acid.
What is the SMILES notation for 2-methyl-1-(prop-2-enoylamino)propane-2-sulfonic acid?
The canonical SMILES for 2-methyl-1-(prop-2-enoylamino)propane-2-sulfonic acid is C=CC(=O)NCC(C)(C)S(=O)(=O)O.
What is the InChIKey of 2-methyl-1-(prop-2-enoylamino)propane-2-sulfonic acid?
The InChIKey is OUEBZMGRFLTABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S/c1-4-6(9)8-5-7(2,3)13(10,11)12/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12).
What are the key properties of 2-methyl-1-(prop-2-enoylamino)propane-2-sulfonic acid?
2-methyl-1-(prop-2-enoylamino)propane-2-sulfonic acid has a molecular weight of 207.25 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(prop-2-enoylamino)propane-2-sulfonic acid is sourced from PubChem (CID 10081756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).