sodium 2-carbamoylprop-2-ene-1-sulfonic acid

C4H7NNaO4S+ — CID 18763472

IUPACsodium 2-carbamoylprop-2-ene-1-sulfonic acid
SMILESC=C(CS(=O)(=O)O)C(N)=O.[Na+]
InChIInChI=1S/C4H7NO4S.Na/c1-3(4(5)6)2-10(7,8)9;/h1-2H2,(H2,5,6)(H,7,8,9);/q;+1
InChIKeyLQTAXGCEJFDULM-UHFFFAOYSA-N
MW188.16 g/mol
LogP-4.08
Rot. Bonds3

About sodium 2-carbamoylprop-2-ene-1-sulfonic acid

sodium 2-carbamoylprop-2-ene-1-sulfonic acid (PubChem CID 18763472) has the molecular formula C4H7NNaO4S+ and a molecular weight of 188.16 g/mol. Its IUPAC name is sodium 2-carbamoylprop-2-ene-1-sulfonic acid.

Molecular Properties

Compound Namesodium 2-carbamoylprop-2-ene-1-sulfonic acid
PubChem CID18763472
Molecular FormulaC4H7NNaO4S+
Molecular Weight188.16 g/mol
Exact Mass188.00
IUPAC Namesodium 2-carbamoylprop-2-ene-1-sulfonic acid
SMILESC=C(CS(=O)(=O)O)C(N)=O.[Na+]
InChIInChI=1S/C4H7NO4S.Na/c1-3(4(5)6)2-10(7,8)9;/h1-2H2,(H2,5,6)(H,7,8,9);/q;+1
InChIKeyLQTAXGCEJFDULM-UHFFFAOYSA-N
XLogP-4.08
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 5-4.08
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

sodium;2-carbamoylprop-2-ene-1-sulfonic acid;hydride
CID 173229255
3-carbamoylbut-3-enyl hydrogen sulfate
CID 87919864
ethanesulfonic acid;urea
CID 159375044
2-(aminomethyl)prop-2-enamide
CID 19089601
2,13-dimethylidenetetradecanediamide
CID 87303548
2,9-dimethylidenedecanediamide
CID 22052797
sodium;hydride;sulfuric acid;urea
CID 175229883
methyl hydrogen sulfate;2-methylidenebutanamide
CID 90258655
prop-2-ene-1,2-disulfonic acid
CID 87689860
2-methylidenehexanediamide
CID 22482529
2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-ene-1-sulfonic acid
CID 87208629
guanidine;sulfuric acid;urea
CID 87661004

Frequently Asked Questions

What is the IUPAC name of sodium 2-carbamoylprop-2-ene-1-sulfonic acid?
The IUPAC name of sodium 2-carbamoylprop-2-ene-1-sulfonic acid (CID 18763472) is sodium 2-carbamoylprop-2-ene-1-sulfonic acid.
What is the SMILES notation for sodium 2-carbamoylprop-2-ene-1-sulfonic acid?
The canonical SMILES for sodium 2-carbamoylprop-2-ene-1-sulfonic acid is C=C(CS(=O)(=O)O)C(N)=O.[Na+].
What is the InChIKey of sodium 2-carbamoylprop-2-ene-1-sulfonic acid?
The InChIKey is LQTAXGCEJFDULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO4S.Na/c1-3(4(5)6)2-10(7,8)9;/h1-2H2,(H2,5,6)(H,7,8,9);/q;+1.
What are the key properties of sodium 2-carbamoylprop-2-ene-1-sulfonic acid?
sodium 2-carbamoylprop-2-ene-1-sulfonic acid has a molecular weight of 188.16 g/mol, XLogP of -4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-carbamoylprop-2-ene-1-sulfonic acid is sourced from PubChem (CID 18763472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).