1-butylpiperidine;trifluoromethanesulfonamide

C10H21F3N2O2S — CID 67127201

IUPAC1-butylpiperidine;trifluoromethanesulfonamide
SMILESCCCCN1CCCCC1.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H19N.CH2F3NO2S/c1-2-3-7-10-8-5-4-6-9-10;2-1(3,4)8(5,6)7/h2-9H2,1H3;(H2,5,6,7)
InChIKeyNZDWIVLGCGPIQZ-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.07
Rot. Bonds3

About 1-butylpiperidine;trifluoromethanesulfonamide

1-butylpiperidine;trifluoromethanesulfonamide (PubChem CID 67127201) has the molecular formula C10H21F3N2O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 1-butylpiperidine;trifluoromethanesulfonamide.

Molecular Properties

Compound Name1-butylpiperidine;trifluoromethanesulfonamide
PubChem CID67127201
Molecular FormulaC10H21F3N2O2S
Molecular Weight290.35 g/mol
Exact Mass290.13
IUPAC Name1-butylpiperidine;trifluoromethanesulfonamide
SMILESCCCCN1CCCCC1.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H19N.CH2F3NO2S/c1-2-3-7-10-8-5-4-6-9-10;2-1(3,4)8(5,6)7/h2-9H2,1H3;(H2,5,6,7)
InChIKeyNZDWIVLGCGPIQZ-UHFFFAOYSA-N
XLogP2.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butylpiperidine;trifluoromethanesulfonamide?
The IUPAC name of 1-butylpiperidine;trifluoromethanesulfonamide (CID 67127201) is 1-butylpiperidine;trifluoromethanesulfonamide.
What is the SMILES notation for 1-butylpiperidine;trifluoromethanesulfonamide?
The canonical SMILES for 1-butylpiperidine;trifluoromethanesulfonamide is CCCCN1CCCCC1.NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1-butylpiperidine;trifluoromethanesulfonamide?
The InChIKey is NZDWIVLGCGPIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.CH2F3NO2S/c1-2-3-7-10-8-5-4-6-9-10;2-1(3,4)8(5,6)7/h2-9H2,1H3;(H2,5,6,7).
What are the key properties of 1-butylpiperidine;trifluoromethanesulfonamide?
1-butylpiperidine;trifluoromethanesulfonamide has a molecular weight of 290.35 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylpiperidine;trifluoromethanesulfonamide is sourced from PubChem (CID 67127201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).