N-[(3R,4R)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide

C9H15F3N2O3S — CID 162401877

IUPACN-[(3R,4R)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CN(S(=O)(=O)C(F)(F)F)CC[C@H]1C
InChIInChI=1S/C9H15F3N2O3S/c1-6-3-4-14(5-8(6)13-7(2)15)18(16,17)9(10,11)12/h6,8H,3-5H2,1-2H3,(H,13,15)/t6-,8+/m1/s1
InChIKeyOHADATCXBMLKNG-SVRRBLITSA-N
MW288.29 g/mol
LogP0.68
Rot. Bonds2

About N-[(3R,4R)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide

N-[(3R,4R)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide (PubChem CID 162401877) has the molecular formula C9H15F3N2O3S and a molecular weight of 288.29 g/mol. Its IUPAC name is N-[(3R,4R)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide
PubChem CID162401877
Molecular FormulaC9H15F3N2O3S
Molecular Weight288.29 g/mol
Exact Mass288.08
IUPAC NameN-[(3R,4R)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CN(S(=O)(=O)C(F)(F)F)CC[C@H]1C
InChIInChI=1S/C9H15F3N2O3S/c1-6-3-4-14(5-8(6)13-7(2)15)18(16,17)9(10,11)12/h6,8H,3-5H2,1-2H3,(H,13,15)/t6-,8+/m1/s1
InChIKeyOHADATCXBMLKNG-SVRRBLITSA-N
XLogP0.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(3R,4R)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide (CID 162401877) is N-[(3R,4R)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R,4R)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3R,4R)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide is CC(=O)N[C@H]1CN(S(=O)(=O)C(F)(F)F)CC[C@H]1C.
What is the InChIKey of N-[(3R,4R)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide?
The InChIKey is OHADATCXBMLKNG-SVRRBLITSA-N. The full InChI is InChI=1S/C9H15F3N2O3S/c1-6-3-4-14(5-8(6)13-7(2)15)18(16,17)9(10,11)12/h6,8H,3-5H2,1-2H3,(H,13,15)/t6-,8+/m1/s1.
What are the key properties of N-[(3R,4R)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide?
N-[(3R,4R)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide has a molecular weight of 288.29 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 162401877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).