N-butylsulfonyl-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide

C12H19F3N2O4S — CID 138007111

IUPACN-butylsulfonyl-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide
SMILESCCCCS(=O)(=O)NC(=O)CN1CCCC(C(F)(F)F)C1=O
InChIInChI=1S/C12H19F3N2O4S/c1-2-3-7-22(20,21)16-10(18)8-17-6-4-5-9(11(17)19)12(13,14)15/h9H,2-8H2,1H3,(H,16,18)
InChIKeyUMOONQXLAYEAPG-UHFFFAOYSA-N
MW344.36 g/mol
LogP1.03
Rot. Bonds6

About N-butylsulfonyl-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide

N-butylsulfonyl-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide (PubChem CID 138007111) has the molecular formula C12H19F3N2O4S and a molecular weight of 344.36 g/mol. Its IUPAC name is N-butylsulfonyl-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-butylsulfonyl-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide
PubChem CID138007111
Molecular FormulaC12H19F3N2O4S
Molecular Weight344.36 g/mol
Exact Mass344.10
IUPAC NameN-butylsulfonyl-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide
SMILESCCCCS(=O)(=O)NC(=O)CN1CCCC(C(F)(F)F)C1=O
InChIInChI=1S/C12H19F3N2O4S/c1-2-3-7-22(20,21)16-10(18)8-17-6-4-5-9(11(17)19)12(13,14)15/h9H,2-8H2,1H3,(H,16,18)
InChIKeyUMOONQXLAYEAPG-UHFFFAOYSA-N
XLogP1.03
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butylsulfonyl-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-butylsulfonyl-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide (CID 138007111) is N-butylsulfonyl-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-butylsulfonyl-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-butylsulfonyl-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide is CCCCS(=O)(=O)NC(=O)CN1CCCC(C(F)(F)F)C1=O.
What is the InChIKey of N-butylsulfonyl-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide?
The InChIKey is UMOONQXLAYEAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O4S/c1-2-3-7-22(20,21)16-10(18)8-17-6-4-5-9(11(17)19)12(13,14)15/h9H,2-8H2,1H3,(H,16,18).
What are the key properties of N-butylsulfonyl-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide?
N-butylsulfonyl-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide has a molecular weight of 344.36 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylsulfonyl-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 138007111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).