3-amino-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide

C6H13F3N2O2S — CID 63226727

IUPAC3-amino-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide
SMILESNCCCS(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C6H13F3N2O2S/c7-6(8,9)2-4-11-14(12,13)5-1-3-10/h11H,1-5,10H2
InChIKeyTXALSELUPYXPRG-UHFFFAOYSA-N
MW234.24 g/mol
LogP0.21
Rot. Bonds6

About 3-amino-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide

3-amino-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide (PubChem CID 63226727) has the molecular formula C6H13F3N2O2S and a molecular weight of 234.24 g/mol. Its IUPAC name is 3-amino-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide
PubChem CID63226727
Molecular FormulaC6H13F3N2O2S
Molecular Weight234.24 g/mol
Exact Mass234.06
IUPAC Name3-amino-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide
SMILESNCCCS(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C6H13F3N2O2S/c7-6(8,9)2-4-11-14(12,13)5-1-3-10/h11H,1-5,10H2
InChIKeyTXALSELUPYXPRG-UHFFFAOYSA-N
XLogP0.21
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide (CID 63226727) is 3-amino-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide is NCCCS(=O)(=O)NCCC(F)(F)F.
What is the InChIKey of 3-amino-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide?
The InChIKey is TXALSELUPYXPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2O2S/c7-6(8,9)2-4-11-14(12,13)5-1-3-10/h11H,1-5,10H2.
What are the key properties of 3-amino-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide?
3-amino-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide has a molecular weight of 234.24 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide is sourced from PubChem (CID 63226727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).