potassium 2-(carbamoylamino)ethanesulfonate

C3H7KN2O4S — CID 23671517

IUPACpotassium 2-(carbamoylamino)ethanesulfonate
SMILESNC(=O)NCCS(=O)(=O)[O-].[K+]
InChIInChI=1S/C3H8N2O4S.K/c4-3(6)5-1-2-10(7,8)9;/h1-2H2,(H3,4,5,6)(H,7,8,9);/q;+1/p-1
InChIKeyAUHMMFTYLQTHIA-UHFFFAOYSA-M
MW206.26 g/mol
LogP-4.80
Rot. Bonds3

About potassium 2-(carbamoylamino)ethanesulfonate

potassium 2-(carbamoylamino)ethanesulfonate (PubChem CID 23671517) has the molecular formula C3H7KN2O4S and a molecular weight of 206.26 g/mol. Its IUPAC name is potassium 2-(carbamoylamino)ethanesulfonate.

Molecular Properties

Compound Namepotassium 2-(carbamoylamino)ethanesulfonate
PubChem CID23671517
Molecular FormulaC3H7KN2O4S
Molecular Weight206.26 g/mol
Exact Mass205.98
IUPAC Namepotassium 2-(carbamoylamino)ethanesulfonate
SMILESNC(=O)NCCS(=O)(=O)[O-].[K+]
InChIInChI=1S/C3H8N2O4S.K/c4-3(6)5-1-2-10(7,8)9;/h1-2H2,(H3,4,5,6)(H,7,8,9);/q;+1/p-1
InChIKeyAUHMMFTYLQTHIA-UHFFFAOYSA-M
XLogP-4.80
TPSA112.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 5-4.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

zinc;bis(2-acetamidoethanesulfonate);dihydrate
CID 173024428
disodium;2-(2-sulfonatoethylcarbamothioylamino)acetate
CID 18341757
2-[(2-phenylacetyl)amino]ethanesulfonate
CID 2179692
2-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]ethanesulfonate
CID 74652428
2-(2-chloroethylsulfonylamino)ethylurea
CID 107652346
sodium 2-(octadecanoylamino)ethanesulfonate
CID 23664344
2-(carbamoylamino)ethyl hydrogen sulfate
CID 174347909
2-hydroxyethylurea;iron
CID 174789558
4-acetamidobutane-1-sulfonate
CID 21045154
calcium 3-acetamidopropane-1-sulfonate
CID 21123437
dilithium;ethane-1,2-disulfonate
CID 87246309
sodium 2-(2-aminoethylamino)ethanesulfonate
CID 23686675

Frequently Asked Questions

What is the IUPAC name of potassium 2-(carbamoylamino)ethanesulfonate?
The IUPAC name of potassium 2-(carbamoylamino)ethanesulfonate (CID 23671517) is potassium 2-(carbamoylamino)ethanesulfonate.
What is the SMILES notation for potassium 2-(carbamoylamino)ethanesulfonate?
The canonical SMILES for potassium 2-(carbamoylamino)ethanesulfonate is NC(=O)NCCS(=O)(=O)[O-].[K+].
What is the InChIKey of potassium 2-(carbamoylamino)ethanesulfonate?
The InChIKey is AUHMMFTYLQTHIA-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8N2O4S.K/c4-3(6)5-1-2-10(7,8)9;/h1-2H2,(H3,4,5,6)(H,7,8,9);/q;+1/p-1.
What are the key properties of potassium 2-(carbamoylamino)ethanesulfonate?
potassium 2-(carbamoylamino)ethanesulfonate has a molecular weight of 206.26 g/mol, XLogP of -4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(carbamoylamino)ethanesulfonate is sourced from PubChem (CID 23671517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).