N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide

C11H21F3N2O2S — CID 43602822

IUPACN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H21F3N2O2S/c1-2-3-8-19(17,18)16(9-11(12,13)14)10-4-6-15-7-5-10/h10,15H,2-9H2,1H3
InChIKeyWCOFHDHNUGPXAW-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.73
Rot. Bonds6

About N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide

N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide (PubChem CID 43602822) has the molecular formula C11H21F3N2O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
PubChem CID43602822
Molecular FormulaC11H21F3N2O2S
Molecular Weight302.36 g/mol
Exact Mass302.13
IUPAC NameN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H21F3N2O2S/c1-2-3-8-19(17,18)16(9-11(12,13)14)10-4-6-15-7-5-10/h10,15H,2-9H2,1H3
InChIKeyWCOFHDHNUGPXAW-UHFFFAOYSA-N
XLogP1.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(piperidin-4-yl)propane-1-sulfonamide hydrochloride
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1-(2-Methylpropanesulfonyl)piperidin-4-amine hydrochloride
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1-(Propane-1-sulfonyl)piperidin-4-amine hydrochloride
CID 91989245

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide?
The IUPAC name of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide (CID 43602822) is N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide.
What is the SMILES notation for N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide?
The canonical SMILES for N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide is CCCCS(=O)(=O)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide?
The InChIKey is WCOFHDHNUGPXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2S/c1-2-3-8-19(17,18)16(9-11(12,13)14)10-4-6-15-7-5-10/h10,15H,2-9H2,1H3.
What are the key properties of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide?
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide is sourced from PubChem (CID 43602822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).