1-aminoethylsulfamic acid

C2H8N2O3S — CID 22145165

IUPAC1-aminoethylsulfamic acid
SMILESCC(N)NS(=O)(=O)O
InChIInChI=1S/C2H8N2O3S/c1-2(3)4-8(5,6)7/h2,4H,3H2,1H3,(H,5,6,7)
InChIKeyZLWKUFZTWQHLBJ-UHFFFAOYSA-N
MW140.16 g/mol
LogP-1.32
Rot. Bonds2

About 1-aminoethylsulfamic acid

1-aminoethylsulfamic acid (PubChem CID 22145165) has the molecular formula C2H8N2O3S and a molecular weight of 140.16 g/mol. Its IUPAC name is 1-aminoethylsulfamic acid.

Molecular Properties

Compound Name1-aminoethylsulfamic acid
PubChem CID22145165
Molecular FormulaC2H8N2O3S
Molecular Weight140.16 g/mol
Exact Mass140.03
IUPAC Name1-aminoethylsulfamic acid
SMILESCC(N)NS(=O)(=O)O
InChIInChI=1S/C2H8N2O3S/c1-2(3)4-8(5,6)7/h2,4H,3H2,1H3,(H,5,6,7)
InChIKeyZLWKUFZTWQHLBJ-UHFFFAOYSA-N
XLogP-1.32
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-aminoethylsulfamic acid?
The IUPAC name of 1-aminoethylsulfamic acid (CID 22145165) is 1-aminoethylsulfamic acid.
What is the SMILES notation for 1-aminoethylsulfamic acid?
The canonical SMILES for 1-aminoethylsulfamic acid is CC(N)NS(=O)(=O)O.
What is the InChIKey of 1-aminoethylsulfamic acid?
The InChIKey is ZLWKUFZTWQHLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2O3S/c1-2(3)4-8(5,6)7/h2,4H,3H2,1H3,(H,5,6,7).
What are the key properties of 1-aminoethylsulfamic acid?
1-aminoethylsulfamic acid has a molecular weight of 140.16 g/mol, XLogP of -1.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethylsulfamic acid is sourced from PubChem (CID 22145165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).