sodium;(2-aminoethylamino) ethenesulfonate;hydride

C4H11N2NaO3S — CID 175151064

IUPACsodium;(2-aminoethylamino) ethenesulfonate;hydride
SMILESC=CS(=O)(=O)ONCCN.[H-].[Na+]
InChIInChI=1S/C4H10N2O3S.Na.H/c1-2-10(7,8)9-6-4-3-5;;/h2,6H,1,3-5H2;;/q;+1;-1
InChIKeyJZBHYUUDVBRJPC-UHFFFAOYSA-N
MW190.20 g/mol
LogP-3.94
Rot. Bonds5

About sodium;(2-aminoethylamino) ethenesulfonate;hydride

sodium;(2-aminoethylamino) ethenesulfonate;hydride (PubChem CID 175151064) has the molecular formula C4H11N2NaO3S and a molecular weight of 190.20 g/mol. Its IUPAC name is sodium;(2-aminoethylamino) ethenesulfonate;hydride.

Molecular Properties

Compound Namesodium;(2-aminoethylamino) ethenesulfonate;hydride
PubChem CID175151064
Molecular FormulaC4H11N2NaO3S
Molecular Weight190.20 g/mol
Exact Mass190.04
IUPAC Namesodium;(2-aminoethylamino) ethenesulfonate;hydride
SMILESC=CS(=O)(=O)ONCCN.[H-].[Na+]
InChIInChI=1S/C4H10N2O3S.Na.H/c1-2-10(7,8)9-6-4-3-5;;/h2,6H,1,3-5H2;;/q;+1;-1
InChIKeyJZBHYUUDVBRJPC-UHFFFAOYSA-N
XLogP-3.94
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-3.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

disodium;(2-aminoethylamino) acetate;hydride
CID 173366093
N'-(2-aminoethoxy)ethane-1,2-diamine
CID 54074422
2-ethenylsulfonylethyl N-(2-aminoethyl)carbamate
CID 58003244
(2-aminoethylamino) acetate;hydrochloride
CID 174583759
(2-aminoethylamino) acetate;chromium
CID 88783044
(2-aminoethylamino) acetate;cadmium;dihydrate
CID 174988758
(2-aminoethylamino) phosphate;manganese(2+)
CID 175393374
fluoromethyl ethenesulfonate
CID 90383884
4-ethenylsulfonyloxybut-2-enyl ethenesulfonate
CID 123832302
1-aminoethenyl ethenesulfonate
CID 174374088
1-(ethenylsulfonylmethoxy)-2-[2-(ethenylsulfonylmethoxy)ethoxy]ethane
CID 71341054
alumane;tris(2-aminoethylamino) phosphate
CID 175212348

Frequently Asked Questions

What is the IUPAC name of sodium;(2-aminoethylamino) ethenesulfonate;hydride?
The IUPAC name of sodium;(2-aminoethylamino) ethenesulfonate;hydride (CID 175151064) is sodium;(2-aminoethylamino) ethenesulfonate;hydride.
What is the SMILES notation for sodium;(2-aminoethylamino) ethenesulfonate;hydride?
The canonical SMILES for sodium;(2-aminoethylamino) ethenesulfonate;hydride is C=CS(=O)(=O)ONCCN.[H-].[Na+].
What is the InChIKey of sodium;(2-aminoethylamino) ethenesulfonate;hydride?
The InChIKey is JZBHYUUDVBRJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O3S.Na.H/c1-2-10(7,8)9-6-4-3-5;;/h2,6H,1,3-5H2;;/q;+1;-1.
What are the key properties of sodium;(2-aminoethylamino) ethenesulfonate;hydride?
sodium;(2-aminoethylamino) ethenesulfonate;hydride has a molecular weight of 190.20 g/mol, XLogP of -3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(2-aminoethylamino) ethenesulfonate;hydride is sourced from PubChem (CID 175151064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).