ethane-1,2-diamine;ethanesulfonic acid

C4H14N2O3S — CID 18361630

IUPACethane-1,2-diamine;ethanesulfonic acid
SMILESCCS(=O)(=O)O.NCCN
InChIInChI=1S/C2H8N2.C2H6O3S/c3-1-2-4;1-2-6(3,4)5/h1-4H2;2H2,1H3,(H,3,4,5)
InChIKeyMLQUDRXSWPSUAB-UHFFFAOYSA-N
MW170.23 g/mol
LogP-1.20
Rot. Bonds2

About ethane-1,2-diamine;ethanesulfonic acid

ethane-1,2-diamine;ethanesulfonic acid (PubChem CID 18361630) has the molecular formula C4H14N2O3S and a molecular weight of 170.23 g/mol. Its IUPAC name is ethane-1,2-diamine;ethanesulfonic acid.

Molecular Properties

Compound Nameethane-1,2-diamine;ethanesulfonic acid
PubChem CID18361630
Molecular FormulaC4H14N2O3S
Molecular Weight170.23 g/mol
Exact Mass170.07
IUPAC Nameethane-1,2-diamine;ethanesulfonic acid
SMILESCCS(=O)(=O)O.NCCN
InChIInChI=1S/C2H8N2.C2H6O3S/c3-1-2-4;1-2-6(3,4)5/h1-4H2;2H2,1H3,(H,3,4,5)
InChIKeyMLQUDRXSWPSUAB-UHFFFAOYSA-N
XLogP-1.20
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tramiprosate
CID 1646
2-(2-Aminoethylsulfonylsulfanyl)ethanamine
CID 437876
Taurine Hydrochloride
CID 22174439
1-Aminoethanesulfonic acid
CID 344570
1-Amino-1-butanesulfonic acid
CID 344577
4-Aminobutanesulfonic acid
CID 3014806
2-Amino-1-butanesulfonic acid
CID 222929
N-ethylethane-1-sulfonamide
CID 3302035
N-(2-aminoethyl)ethane-1-sulfonamide hydrochloride
CID 47003087
1-Aminopropane-1-sulfonic acid
CID 351264
Methyl-2-aminoethanesulfonic acid
CID 12093848
1,2-Dimethyl taurine
CID 15700882

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine;ethanesulfonic acid?
The IUPAC name of ethane-1,2-diamine;ethanesulfonic acid (CID 18361630) is ethane-1,2-diamine;ethanesulfonic acid.
What is the SMILES notation for ethane-1,2-diamine;ethanesulfonic acid?
The canonical SMILES for ethane-1,2-diamine;ethanesulfonic acid is CCS(=O)(=O)O.NCCN.
What is the InChIKey of ethane-1,2-diamine;ethanesulfonic acid?
The InChIKey is MLQUDRXSWPSUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.C2H6O3S/c3-1-2-4;1-2-6(3,4)5/h1-4H2;2H2,1H3,(H,3,4,5).
What are the key properties of ethane-1,2-diamine;ethanesulfonic acid?
ethane-1,2-diamine;ethanesulfonic acid has a molecular weight of 170.23 g/mol, XLogP of -1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;ethanesulfonic acid is sourced from PubChem (CID 18361630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).