2-amino-N-(3,3,3-trifluoropropyl)ethanesulfonamide

C5H11F3N2O2S — CID 63226676

IUPAC2-amino-N-(3,3,3-trifluoropropyl)ethanesulfonamide
SMILESNCCS(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C5H11F3N2O2S/c6-5(7,8)1-3-10-13(11,12)4-2-9/h10H,1-4,9H2
InChIKeyPDATVWRGDNDXNL-UHFFFAOYSA-N
MW220.22 g/mol
LogP-0.18
Rot. Bonds5

About 2-amino-N-(3,3,3-trifluoropropyl)ethanesulfonamide

2-amino-N-(3,3,3-trifluoropropyl)ethanesulfonamide (PubChem CID 63226676) has the molecular formula C5H11F3N2O2S and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-amino-N-(3,3,3-trifluoropropyl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3,3,3-trifluoropropyl)ethanesulfonamide
PubChem CID63226676
Molecular FormulaC5H11F3N2O2S
Molecular Weight220.22 g/mol
Exact Mass220.05
IUPAC Name2-amino-N-(3,3,3-trifluoropropyl)ethanesulfonamide
SMILESNCCS(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C5H11F3N2O2S/c6-5(7,8)1-3-10-13(11,12)4-2-9/h10H,1-4,9H2
InChIKeyPDATVWRGDNDXNL-UHFFFAOYSA-N
XLogP-0.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,3,3-trifluoropropyl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(3,3,3-trifluoropropyl)ethanesulfonamide (CID 63226676) is 2-amino-N-(3,3,3-trifluoropropyl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(3,3,3-trifluoropropyl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(3,3,3-trifluoropropyl)ethanesulfonamide is NCCS(=O)(=O)NCCC(F)(F)F.
What is the InChIKey of 2-amino-N-(3,3,3-trifluoropropyl)ethanesulfonamide?
The InChIKey is PDATVWRGDNDXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2O2S/c6-5(7,8)1-3-10-13(11,12)4-2-9/h10H,1-4,9H2.
What are the key properties of 2-amino-N-(3,3,3-trifluoropropyl)ethanesulfonamide?
2-amino-N-(3,3,3-trifluoropropyl)ethanesulfonamide has a molecular weight of 220.22 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,3,3-trifluoropropyl)ethanesulfonamide is sourced from PubChem (CID 63226676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).