3-[3-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide

C9H17F3N2O2S — CID 112689741

IUPAC3-[3-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide
SMILESNS(=O)(=O)CCCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)8-3-1-4-14(7-8)5-2-6-17(13,15)16/h8H,1-7H2,(H2,13,15,16)
InChIKeyIUEFWBFDJONJAH-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.94
Rot. Bonds4

About 3-[3-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide

3-[3-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide (PubChem CID 112689741) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide
PubChem CID112689741
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC Name3-[3-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide
SMILESNS(=O)(=O)CCCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)8-3-1-4-14(7-8)5-2-6-17(13,15)16/h8H,1-7H2,(H2,13,15,16)
InChIKeyIUEFWBFDJONJAH-UHFFFAOYSA-N
XLogP0.94
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide?
The IUPAC name of 3-[3-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide (CID 112689741) is 3-[3-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide.
What is the SMILES notation for 3-[3-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide?
The canonical SMILES for 3-[3-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide is NS(=O)(=O)CCCN1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-[3-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide?
The InChIKey is IUEFWBFDJONJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c10-9(11,12)8-3-1-4-14(7-8)5-2-6-17(13,15)16/h8H,1-7H2,(H2,13,15,16).
What are the key properties of 3-[3-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide?
3-[3-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide has a molecular weight of 274.31 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide is sourced from PubChem (CID 112689741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).