sodium;3-(2-aminoethylamino)propane-1-sulfinate;hydride

C5H14N2NaO2S- — CID 175369186

IUPACsodium;3-(2-aminoethylamino)propane-1-sulfinate;hydride
SMILESNCCNCCCS(=O)[O-].[H-].[Na+]
InChIInChI=1S/C5H14N2O2S.Na.H/c6-2-4-7-3-1-5-10(8)9;;/h7H,1-6H2,(H,8,9);;/q;+1;-1/p-1
InChIKeyOPGXCGPKDFYZRU-UHFFFAOYSA-M
MW189.24 g/mol
LogP-4.08
Rot. Bonds6

About sodium;3-(2-aminoethylamino)propane-1-sulfinate;hydride

sodium;3-(2-aminoethylamino)propane-1-sulfinate;hydride (PubChem CID 175369186) has the molecular formula C5H14N2NaO2S- and a molecular weight of 189.24 g/mol. Its IUPAC name is sodium;3-(2-aminoethylamino)propane-1-sulfinate;hydride.

Molecular Properties

Compound Namesodium;3-(2-aminoethylamino)propane-1-sulfinate;hydride
PubChem CID175369186
Molecular FormulaC5H14N2NaO2S-
Molecular Weight189.24 g/mol
Exact Mass189.07
IUPAC Namesodium;3-(2-aminoethylamino)propane-1-sulfinate;hydride
SMILESNCCNCCCS(=O)[O-].[H-].[Na+]
InChIInChI=1S/C5H14N2O2S.Na.H/c6-2-4-7-3-1-5-10(8)9;;/h7H,1-6H2,(H,8,9);;/q;+1;-1/p-1
InChIKeyOPGXCGPKDFYZRU-UHFFFAOYSA-M
XLogP-4.08
TPSA78.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-4.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-ethylsulfinylethyl)ethane-1,2-diamine
CID 130589076
3-formamidopropane-1-sulfinate
CID 57070172
N'-(2-aminoethyl)ethane-1,2-diamine;methylsulfinylmethane
CID 174822335
pentadecasodium;N'-(2-aminoethyl)ethane-1,2-diamine;pentaphosphate
CID 175158292
calcium;sodium;N'-(2-aminoethyl)ethane-1,2-diamine;phosphate
CID 174896105
dodecasodium;N'-(2-aminoethyl)ethane-1,2-diamine;tetraborate
CID 159570968
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970
sodium 2-(2-aminoethylamino)ethanesulfonate
CID 23686675

Frequently Asked Questions

What is the IUPAC name of sodium;3-(2-aminoethylamino)propane-1-sulfinate;hydride?
The IUPAC name of sodium;3-(2-aminoethylamino)propane-1-sulfinate;hydride (CID 175369186) is sodium;3-(2-aminoethylamino)propane-1-sulfinate;hydride.
What is the SMILES notation for sodium;3-(2-aminoethylamino)propane-1-sulfinate;hydride?
The canonical SMILES for sodium;3-(2-aminoethylamino)propane-1-sulfinate;hydride is NCCNCCCS(=O)[O-].[H-].[Na+].
What is the InChIKey of sodium;3-(2-aminoethylamino)propane-1-sulfinate;hydride?
The InChIKey is OPGXCGPKDFYZRU-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H14N2O2S.Na.H/c6-2-4-7-3-1-5-10(8)9;;/h7H,1-6H2,(H,8,9);;/q;+1;-1/p-1.
What are the key properties of sodium;3-(2-aminoethylamino)propane-1-sulfinate;hydride?
sodium;3-(2-aminoethylamino)propane-1-sulfinate;hydride has a molecular weight of 189.24 g/mol, XLogP of -4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-(2-aminoethylamino)propane-1-sulfinate;hydride is sourced from PubChem (CID 175369186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).