2-aminoethanesulfonic acid;formamide;hydrochloride

C4H14ClN3O5S — CID 173249387

IUPAC2-aminoethanesulfonic acid;formamide;hydrochloride
SMILESCl.NC=O.NC=O.NCCS(=O)(=O)O
InChIInChI=1S/C2H7NO3S.2CH3NO.ClH/c3-1-2-7(4,5)6;2*2-1-3;/h1-3H2,(H,4,5,6);2*1H,(H2,2,3);1H
InChIKeyXDSZCOCVQSSXJM-UHFFFAOYSA-N
MW251.69 g/mol
LogP-2.54
Rot. Bonds2

About 2-aminoethanesulfonic acid;formamide;hydrochloride

2-aminoethanesulfonic acid;formamide;hydrochloride (PubChem CID 173249387) has the molecular formula C4H14ClN3O5S and a molecular weight of 251.69 g/mol. Its IUPAC name is 2-aminoethanesulfonic acid;formamide;hydrochloride.

Molecular Properties

Compound Name2-aminoethanesulfonic acid;formamide;hydrochloride
PubChem CID173249387
Molecular FormulaC4H14ClN3O5S
Molecular Weight251.69 g/mol
Exact Mass251.03
IUPAC Name2-aminoethanesulfonic acid;formamide;hydrochloride
SMILESCl.NC=O.NC=O.NCCS(=O)(=O)O
InChIInChI=1S/C2H7NO3S.2CH3NO.ClH/c3-1-2-7(4,5)6;2*2-1-3;/h1-3H2,(H,4,5,6);2*1H,(H2,2,3);1H
InChIKeyXDSZCOCVQSSXJM-UHFFFAOYSA-N
XLogP-2.54
TPSA166.57 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 5-2.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 22244101
CID 22244101
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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanesulfonic acid;formamide;hydrochloride?
The IUPAC name of 2-aminoethanesulfonic acid;formamide;hydrochloride (CID 173249387) is 2-aminoethanesulfonic acid;formamide;hydrochloride.
What is the SMILES notation for 2-aminoethanesulfonic acid;formamide;hydrochloride?
The canonical SMILES for 2-aminoethanesulfonic acid;formamide;hydrochloride is Cl.NC=O.NC=O.NCCS(=O)(=O)O.
What is the InChIKey of 2-aminoethanesulfonic acid;formamide;hydrochloride?
The InChIKey is XDSZCOCVQSSXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO3S.2CH3NO.ClH/c3-1-2-7(4,5)6;2*2-1-3;/h1-3H2,(H,4,5,6);2*1H,(H2,2,3);1H.
What are the key properties of 2-aminoethanesulfonic acid;formamide;hydrochloride?
2-aminoethanesulfonic acid;formamide;hydrochloride has a molecular weight of 251.69 g/mol, XLogP of -2.54, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanesulfonic acid;formamide;hydrochloride is sourced from PubChem (CID 173249387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).