2-hydroxypropane-1-sulfonic acid;N-methylprop-2-enamide

C7H15NO5S — CID 175329174

IUPAC2-hydroxypropane-1-sulfonic acid;N-methylprop-2-enamide
SMILESC=CC(=O)NC.CC(O)CS(=O)(=O)O
InChIInChI=1S/C4H7NO.C3H8O4S/c1-3-4(6)5-2;1-3(4)2-8(5,6)7/h3H,1H2,2H3,(H,5,6);3-4H,2H2,1H3,(H,5,6,7)
InChIKeyCCYUPEYSQHMFLL-UHFFFAOYSA-N
MW225.27 g/mol
LogP-0.83
Rot. Bonds3

About 2-hydroxypropane-1-sulfonic acid;N-methylprop-2-enamide

2-hydroxypropane-1-sulfonic acid;N-methylprop-2-enamide (PubChem CID 175329174) has the molecular formula C7H15NO5S and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-hydroxypropane-1-sulfonic acid;N-methylprop-2-enamide.

Molecular Properties

Compound Name2-hydroxypropane-1-sulfonic acid;N-methylprop-2-enamide
PubChem CID175329174
Molecular FormulaC7H15NO5S
Molecular Weight225.27 g/mol
Exact Mass225.07
IUPAC Name2-hydroxypropane-1-sulfonic acid;N-methylprop-2-enamide
SMILESC=CC(=O)NC.CC(O)CS(=O)(=O)O
InChIInChI=1S/C4H7NO.C3H8O4S/c1-3-4(6)5-2;1-3(4)2-8(5,6)7/h3H,1H2,2H3,(H,5,6);3-4H,2H2,1H3,(H,5,6,7)
InChIKeyCCYUPEYSQHMFLL-UHFFFAOYSA-N
XLogP-0.83
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

CID 87204647
CID 87204647
methanol;bis(N-methylprop-2-enamide)
CID 175170531
methylphosphonic acid;N-methylprop-2-enamide
CID 160712581
but-1-ene;N-methylprop-2-enamide
CID 159446883
2-hydroxyacetic acid;N-methylprop-2-enamide
CID 87472265
N-methylprop-2-enamide;prop-2-en-1-amine;hydrochloride
CID 174712757
(2-hydroxy-3-sulfopropyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium
CID 88775284
sodium;benzene;hydride;N-methylprop-2-enamide
CID 173390942
diethylalumanylium;N-methylprop-2-enamide;chloride
CID 175303125
N,N-dimethylethanamine;N-methylprop-2-enamide;hydrochloride
CID 174733111
1-(prop-2-enoylamino)ethanesulfonic acid
CID 18361641
but-1-ene;N-methylprop-2-enamide;urea
CID 174740802

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropane-1-sulfonic acid;N-methylprop-2-enamide?
The IUPAC name of 2-hydroxypropane-1-sulfonic acid;N-methylprop-2-enamide (CID 175329174) is 2-hydroxypropane-1-sulfonic acid;N-methylprop-2-enamide.
What is the SMILES notation for 2-hydroxypropane-1-sulfonic acid;N-methylprop-2-enamide?
The canonical SMILES for 2-hydroxypropane-1-sulfonic acid;N-methylprop-2-enamide is C=CC(=O)NC.CC(O)CS(=O)(=O)O.
What is the InChIKey of 2-hydroxypropane-1-sulfonic acid;N-methylprop-2-enamide?
The InChIKey is CCYUPEYSQHMFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C3H8O4S/c1-3-4(6)5-2;1-3(4)2-8(5,6)7/h3H,1H2,2H3,(H,5,6);3-4H,2H2,1H3,(H,5,6,7).
What are the key properties of 2-hydroxypropane-1-sulfonic acid;N-methylprop-2-enamide?
2-hydroxypropane-1-sulfonic acid;N-methylprop-2-enamide has a molecular weight of 225.27 g/mol, XLogP of -0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropane-1-sulfonic acid;N-methylprop-2-enamide is sourced from PubChem (CID 175329174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).