2-aminoethylsulfonyl 2-aminoethanesulfonate

C4H12N2O5S2 — CID 57474130

IUPAC2-aminoethylsulfonyl 2-aminoethanesulfonate
SMILESNCCS(=O)(=O)OS(=O)(=O)CCN
InChIInChI=1S/C4H12N2O5S2/c5-1-3-12(7,8)11-13(9,10)4-2-6/h1-6H2
InChIKeyUDXGJQKCXUKNSL-UHFFFAOYSA-N
MW232.28 g/mol
LogP-2.42
Rot. Bonds6

About 2-aminoethylsulfonyl 2-aminoethanesulfonate

2-aminoethylsulfonyl 2-aminoethanesulfonate (PubChem CID 57474130) has the molecular formula C4H12N2O5S2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-aminoethylsulfonyl 2-aminoethanesulfonate.

Molecular Properties

Compound Name2-aminoethylsulfonyl 2-aminoethanesulfonate
PubChem CID57474130
Molecular FormulaC4H12N2O5S2
Molecular Weight232.28 g/mol
Exact Mass232.02
IUPAC Name2-aminoethylsulfonyl 2-aminoethanesulfonate
SMILESNCCS(=O)(=O)OS(=O)(=O)CCN
InChIInChI=1S/C4H12N2O5S2/c5-1-3-12(7,8)11-13(9,10)4-2-6/h1-6H2
InChIKeyUDXGJQKCXUKNSL-UHFFFAOYSA-N
XLogP-2.42
TPSA129.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-2.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Magnesium taurate
CID 13343447
Taurinamide
CID 101263
2-(2-Aminoethylsulfonylsulfanyl)ethanamine
CID 437876
Iron(II) taurate
CID 165362857
N-[2-(ethylsulfonylamino)ethyl]ethanesulfonamide
CID 3336314
Thiotaurine S-(2-aminoethyl) ester, dihydrochloride
CID 3084052
Taurine Zinc Salt (2:1)
CID 88092469
2-amino-N-(dimethyl(oxo)-lambda6-sulfanylidene)ethane-1-sulfonamide hydrochloride
CID 132327920
2-(2-Aminoethanesulfonyl)ethan-1-amine
CID 19026147
2-Aminoethane sulfonic acid (tau-rine)
CID 22395471
Ammonium tauryl ether
CID 44554695
Aminosulfonic acid taurine
CID 71767464

Frequently Asked Questions

What is the IUPAC name of 2-aminoethylsulfonyl 2-aminoethanesulfonate?
The IUPAC name of 2-aminoethylsulfonyl 2-aminoethanesulfonate (CID 57474130) is 2-aminoethylsulfonyl 2-aminoethanesulfonate.
What is the SMILES notation for 2-aminoethylsulfonyl 2-aminoethanesulfonate?
The canonical SMILES for 2-aminoethylsulfonyl 2-aminoethanesulfonate is NCCS(=O)(=O)OS(=O)(=O)CCN.
What is the InChIKey of 2-aminoethylsulfonyl 2-aminoethanesulfonate?
The InChIKey is UDXGJQKCXUKNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O5S2/c5-1-3-12(7,8)11-13(9,10)4-2-6/h1-6H2.
What are the key properties of 2-aminoethylsulfonyl 2-aminoethanesulfonate?
2-aminoethylsulfonyl 2-aminoethanesulfonate has a molecular weight of 232.28 g/mol, XLogP of -2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethylsulfonyl 2-aminoethanesulfonate is sourced from PubChem (CID 57474130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).