2-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

C12H21F3N4O4S — CID 48736462

IUPAC2-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCN(C1CCN(CC(=O)NC(=O)NCC(F)(F)F)CC1)S(C)(=O)=O
InChIInChI=1S/C12H21F3N4O4S/c1-18(24(2,22)23)9-3-5-19(6-4-9)7-10(20)17-11(21)16-8-12(13,14)15/h9H,3-8H2,1-2H3,(H2,16,17,20,21)
InChIKeyTYNXTDMFVFXZPV-UHFFFAOYSA-N
MW374.39 g/mol
LogP-0.27
Rot. Bonds5

About 2-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

2-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (PubChem CID 48736462) has the molecular formula C12H21F3N4O4S and a molecular weight of 374.39 g/mol. Its IUPAC name is 2-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
PubChem CID48736462
Molecular FormulaC12H21F3N4O4S
Molecular Weight374.39 g/mol
Exact Mass374.12
IUPAC Name2-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCN(C1CCN(CC(=O)NC(=O)NCC(F)(F)F)CC1)S(C)(=O)=O
InChIInChI=1S/C12H21F3N4O4S/c1-18(24(2,22)23)9-3-5-19(6-4-9)7-10(20)17-11(21)16-8-12(13,14)15/h9H,3-8H2,1-2H3,(H2,16,17,20,21)
InChIKeyTYNXTDMFVFXZPV-UHFFFAOYSA-N
XLogP-0.27
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The IUPAC name of 2-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (CID 48736462) is 2-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is CN(C1CCN(CC(=O)NC(=O)NCC(F)(F)F)CC1)S(C)(=O)=O.
What is the InChIKey of 2-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The InChIKey is TYNXTDMFVFXZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4O4S/c1-18(24(2,22)23)9-3-5-19(6-4-9)7-10(20)17-11(21)16-8-12(13,14)15/h9H,3-8H2,1-2H3,(H2,16,17,20,21).
What are the key properties of 2-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
2-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide has a molecular weight of 374.39 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is sourced from PubChem (CID 48736462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).