1-amino-2-(sulfamoylamino)ethane;2,2,2-trifluoroacetic acid

C4H10F3N3O4S — CID 175728490

IUPAC1-amino-2-(sulfamoylamino)ethane;2,2,2-trifluoroacetic acid
SMILESNCCNS(N)(=O)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H9N3O2S/c3-2(4,5)1(6)7;3-1-2-5-8(4,6)7/h(H,6,7);5H,1-3H2,(H2,4,6,7)
InChIKeyOZQSXEUAHGIIHH-UHFFFAOYSA-N
MW253.20 g/mol
LogP-1.63
Rot. Bonds3

About 1-amino-2-(sulfamoylamino)ethane;2,2,2-trifluoroacetic acid

1-amino-2-(sulfamoylamino)ethane;2,2,2-trifluoroacetic acid (PubChem CID 175728490) has the molecular formula C4H10F3N3O4S and a molecular weight of 253.20 g/mol. Its IUPAC name is 1-amino-2-(sulfamoylamino)ethane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-amino-2-(sulfamoylamino)ethane;2,2,2-trifluoroacetic acid
PubChem CID175728490
Molecular FormulaC4H10F3N3O4S
Molecular Weight253.20 g/mol
Exact Mass253.03
IUPAC Name1-amino-2-(sulfamoylamino)ethane;2,2,2-trifluoroacetic acid
SMILESNCCNS(N)(=O)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H9N3O2S/c3-2(4,5)1(6)7;3-1-2-5-8(4,6)7/h(H,6,7);5H,1-3H2,(H2,4,6,7)
InChIKeyOZQSXEUAHGIIHH-UHFFFAOYSA-N
XLogP-1.63
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-amino-2-(sulfamoylamino)ethane;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethane-1,2-diamine;2,2,2-trifluoroacetic acid
CID 87485820
1-Amino-3-(sulfinatoamino)propane;2,2,2-trifluoroacetic acid
CID 137376499
N-(2-Aminoethyl)methanesulfonamide trifluoroacetate
CID 137376504
3-Aminopropylsulfamoyl 2,2,2-trifluoroacetate
CID 141489984
Ethane-1,2-diamine;bis(2,2,2-trifluoroacetic acid)
CID 160227818
1-(Sulfamoylamino)propane;2,2,2-trifluoroacetic acid
CID 175933781
(Sulfamoylamino)ethane;2,2,2-trifluoroacetic acid
CID 175933782
2-(2,2,2-Trifluoroethylsulfamoylamino)acetic acid
CID 114805142
3-(2,2,2-Trifluoroethylsulfamoylamino)propanoic acid
CID 114805153

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(sulfamoylamino)ethane;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-amino-2-(sulfamoylamino)ethane;2,2,2-trifluoroacetic acid (CID 175728490) is 1-amino-2-(sulfamoylamino)ethane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-amino-2-(sulfamoylamino)ethane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-amino-2-(sulfamoylamino)ethane;2,2,2-trifluoroacetic acid is NCCNS(N)(=O)=O.O=C(O)C(F)(F)F.
What is the InChIKey of 1-amino-2-(sulfamoylamino)ethane;2,2,2-trifluoroacetic acid?
The InChIKey is OZQSXEUAHGIIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.C2H9N3O2S/c3-2(4,5)1(6)7;3-1-2-5-8(4,6)7/h(H,6,7);5H,1-3H2,(H2,4,6,7).
What are the key properties of 1-amino-2-(sulfamoylamino)ethane;2,2,2-trifluoroacetic acid?
1-amino-2-(sulfamoylamino)ethane;2,2,2-trifluoroacetic acid has a molecular weight of 253.20 g/mol, XLogP of -1.63, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(sulfamoylamino)ethane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175728490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).