1-butylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C14H25F3N2O3S — CID 78888802

IUPAC1-butylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)N(CC)CC(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O3S/c1-3-5-10-23(21,22)19-8-6-12(7-9-19)13(20)18(4-2)11-14(15,16)17/h12H,3-11H2,1-2H3
InChIKeyILOMAWHNTMIRIK-UHFFFAOYSA-N
MW358.43 g/mol
LogP2.24
Rot. Bonds7

About 1-butylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

1-butylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 78888802) has the molecular formula C14H25F3N2O3S and a molecular weight of 358.43 g/mol. Its IUPAC name is 1-butylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID78888802
Molecular FormulaC14H25F3N2O3S
Molecular Weight358.43 g/mol
Exact Mass358.15
IUPAC Name1-butylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)N(CC)CC(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O3S/c1-3-5-10-23(21,22)19-8-6-12(7-9-19)13(20)18(4-2)11-14(15,16)17/h12H,3-11H2,1-2H3
InChIKeyILOMAWHNTMIRIK-UHFFFAOYSA-N
XLogP2.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-butylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 78888802) is 1-butylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-butylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-butylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is CCCCS(=O)(=O)N1CCC(C(=O)N(CC)CC(F)(F)F)CC1.
What is the InChIKey of 1-butylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is ILOMAWHNTMIRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O3S/c1-3-5-10-23(21,22)19-8-6-12(7-9-19)13(20)18(4-2)11-14(15,16)17/h12H,3-11H2,1-2H3.
What are the key properties of 1-butylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-butylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 358.43 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 78888802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).