1-amino-2-formamidoethanesulfonic acid

C3H8N2O4S — CID 139212047

IUPAC1-amino-2-formamidoethanesulfonic acid
SMILESNC(CNC=O)S(=O)(=O)O
InChIInChI=1S/C3H8N2O4S/c4-3(1-5-2-6)10(7,8)9/h2-3H,1,4H2,(H,5,6)(H,7,8,9)
InChIKeyLTRZWBXSZURVDI-UHFFFAOYSA-N
MW168.17 g/mol
LogP-2.10
Rot. Bonds4

About 1-amino-2-formamidoethanesulfonic acid

1-amino-2-formamidoethanesulfonic acid (PubChem CID 139212047) has the molecular formula C3H8N2O4S and a molecular weight of 168.17 g/mol. Its IUPAC name is 1-amino-2-formamidoethanesulfonic acid.

Molecular Properties

Compound Name1-amino-2-formamidoethanesulfonic acid
PubChem CID139212047
Molecular FormulaC3H8N2O4S
Molecular Weight168.17 g/mol
Exact Mass168.02
IUPAC Name1-amino-2-formamidoethanesulfonic acid
SMILESNC(CNC=O)S(=O)(=O)O
InChIInChI=1S/C3H8N2O4S/c4-3(1-5-2-6)10(7,8)9/h2-3H,1,4H2,(H,5,6)(H,7,8,9)
InChIKeyLTRZWBXSZURVDI-UHFFFAOYSA-N
XLogP-2.10
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 5-2.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

1-amino-2-sulfanylethanesulfonic acid
CID 18184067
4-formamidobutane-1-sulfonic acid
CID 87328027
(2S)-3-formamido-2-hydroxypropanoic acid
CID 22855355
1-aminopropane-1-sulfonic acid;2-(2-hydroxyethylamino)ethanol
CID 174735970
N-(2-hydroxy-3,3-dimethylbutyl)formamide
CID 130752227
amino(methylamino)methanesulfonic acid;formic acid
CID 174888998
tetrasodium;1,6-diaminohexane-1,6-disulfonic acid;hydride
CID 175094997
N-[2-(formamidomethyl)butyl]formamide
CID 59861734
N-(4-hydroxy-2-methylpentyl)formamide
CID 130972750
N-(2-methoxyethyl)formamide;sulfuric acid
CID 161274600
N-[2-(hydroxymethyl)butyl]formamide
CID 130241467
N-[2-hydroxy-3-(2-oxoethylamino)propyl]formamide
CID 100969877

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-formamidoethanesulfonic acid?
The IUPAC name of 1-amino-2-formamidoethanesulfonic acid (CID 139212047) is 1-amino-2-formamidoethanesulfonic acid.
What is the SMILES notation for 1-amino-2-formamidoethanesulfonic acid?
The canonical SMILES for 1-amino-2-formamidoethanesulfonic acid is NC(CNC=O)S(=O)(=O)O.
What is the InChIKey of 1-amino-2-formamidoethanesulfonic acid?
The InChIKey is LTRZWBXSZURVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O4S/c4-3(1-5-2-6)10(7,8)9/h2-3H,1,4H2,(H,5,6)(H,7,8,9).
What are the key properties of 1-amino-2-formamidoethanesulfonic acid?
1-amino-2-formamidoethanesulfonic acid has a molecular weight of 168.17 g/mol, XLogP of -2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-formamidoethanesulfonic acid is sourced from PubChem (CID 139212047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).