1,1,1-trifluoro-N-piperidin-3-yl-N-propylmethanesulfonamide

C9H17F3N2O2S — CID 55244348

IUPAC1,1,1-trifluoro-N-piperidin-3-yl-N-propylmethanesulfonamide
SMILESCCCN(C1CCCNC1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c1-2-6-14(8-4-3-5-13-7-8)17(15,16)9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyHAFFDHODEAMFMC-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.30
Rot. Bonds4

About 1,1,1-trifluoro-N-piperidin-3-yl-N-propylmethanesulfonamide

1,1,1-trifluoro-N-piperidin-3-yl-N-propylmethanesulfonamide (PubChem CID 55244348) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-piperidin-3-yl-N-propylmethanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-piperidin-3-yl-N-propylmethanesulfonamide
PubChem CID55244348
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC Name1,1,1-trifluoro-N-piperidin-3-yl-N-propylmethanesulfonamide
SMILESCCCN(C1CCCNC1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c1-2-6-14(8-4-3-5-13-7-8)17(15,16)9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyHAFFDHODEAMFMC-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-piperidin-3-yl-N-propylmethanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-piperidin-3-yl-N-propylmethanesulfonamide (CID 55244348) is 1,1,1-trifluoro-N-piperidin-3-yl-N-propylmethanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-piperidin-3-yl-N-propylmethanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-piperidin-3-yl-N-propylmethanesulfonamide is CCCN(C1CCCNC1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-piperidin-3-yl-N-propylmethanesulfonamide?
The InChIKey is HAFFDHODEAMFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c1-2-6-14(8-4-3-5-13-7-8)17(15,16)9(10,11)12/h8,13H,2-7H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-piperidin-3-yl-N-propylmethanesulfonamide?
1,1,1-trifluoro-N-piperidin-3-yl-N-propylmethanesulfonamide has a molecular weight of 274.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-piperidin-3-yl-N-propylmethanesulfonamide is sourced from PubChem (CID 55244348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).