2,2,2-trifluoro-N-(2H-tetrazol-5-ylmethylsulfamoyl)ethanamine

C4H7F3N6O2S — CID 114810045

IUPAC2,2,2-trifluoro-N-(2H-tetrazol-5-ylmethylsulfamoyl)ethanamine
SMILESO=S(=O)(NCc1nn[nH]n1)NCC(F)(F)F
InChIInChI=1S/C4H7F3N6O2S/c5-4(6,7)2-9-16(14,15)8-1-3-10-12-13-11-3/h8-9H,1-2H2,(H,10,11,12,13)
InChIKeyYUQCWMTWZGFCDU-UHFFFAOYSA-N
MW260.20 g/mol
LogP-1.31
Rot. Bonds5

About 2,2,2-trifluoro-N-(2H-tetrazol-5-ylmethylsulfamoyl)ethanamine

2,2,2-trifluoro-N-(2H-tetrazol-5-ylmethylsulfamoyl)ethanamine (PubChem CID 114810045) has the molecular formula C4H7F3N6O2S and a molecular weight of 260.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2H-tetrazol-5-ylmethylsulfamoyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2H-tetrazol-5-ylmethylsulfamoyl)ethanamine
PubChem CID114810045
Molecular FormulaC4H7F3N6O2S
Molecular Weight260.20 g/mol
Exact Mass260.03
IUPAC Name2,2,2-trifluoro-N-(2H-tetrazol-5-ylmethylsulfamoyl)ethanamine
SMILESO=S(=O)(NCc1nn[nH]n1)NCC(F)(F)F
InChIInChI=1S/C4H7F3N6O2S/c5-4(6,7)2-9-16(14,15)8-1-3-10-12-13-11-3/h8-9H,1-2H2,(H,10,11,12,13)
InChIKeyYUQCWMTWZGFCDU-UHFFFAOYSA-N
XLogP-1.31
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2H-tetrazol-5-ylmethylsulfamoyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(2H-tetrazol-5-ylmethylsulfamoyl)ethanamine (CID 114810045) is 2,2,2-trifluoro-N-(2H-tetrazol-5-ylmethylsulfamoyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(2H-tetrazol-5-ylmethylsulfamoyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(2H-tetrazol-5-ylmethylsulfamoyl)ethanamine is O=S(=O)(NCc1nn[nH]n1)NCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2H-tetrazol-5-ylmethylsulfamoyl)ethanamine?
The InChIKey is YUQCWMTWZGFCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3N6O2S/c5-4(6,7)2-9-16(14,15)8-1-3-10-12-13-11-3/h8-9H,1-2H2,(H,10,11,12,13).
What are the key properties of 2,2,2-trifluoro-N-(2H-tetrazol-5-ylmethylsulfamoyl)ethanamine?
2,2,2-trifluoro-N-(2H-tetrazol-5-ylmethylsulfamoyl)ethanamine has a molecular weight of 260.20 g/mol, XLogP of -1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2H-tetrazol-5-ylmethylsulfamoyl)ethanamine is sourced from PubChem (CID 114810045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).