2-[(1-methylsulfonylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C10H18F3N3O3S — CID 60976887

IUPAC2-[(1-methylsulfonylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCS(=O)(=O)N1CCC(NCC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3O3S/c1-20(18,19)16-4-2-8(3-5-16)14-6-9(17)15-7-10(11,12)13/h8,14H,2-7H2,1H3,(H,15,17)
InChIKeyAWNPJMCCILFPKF-UHFFFAOYSA-N
MW317.33 g/mol
LogP-0.32
Rot. Bonds5

About 2-[(1-methylsulfonylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(1-methylsulfonylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60976887) has the molecular formula C10H18F3N3O3S and a molecular weight of 317.33 g/mol. Its IUPAC name is 2-[(1-methylsulfonylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(1-methylsulfonylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60976887
Molecular FormulaC10H18F3N3O3S
Molecular Weight317.33 g/mol
Exact Mass317.10
IUPAC Name2-[(1-methylsulfonylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCS(=O)(=O)N1CCC(NCC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3O3S/c1-20(18,19)16-4-2-8(3-5-16)14-6-9(17)15-7-10(11,12)13/h8,14H,2-7H2,1H3,(H,15,17)
InChIKeyAWNPJMCCILFPKF-UHFFFAOYSA-N
XLogP-0.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,1-dioxothian-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 54961742
N-[2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]acetamide
CID 102673469
N-(1-methoxypropan-2-yl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]acetamide
CID 60976886
N-(3-chloro-2-methylprop-2-enyl)-1-methylsulfonylpiperidin-4-amine
CID 106437494
2-[(2,2,3,3-tetramethylcyclopropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 79357973
2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 113237119
2-(cyclopropylamino)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 61274504
1-[(1-methylsulfonylpiperidin-4-yl)amino]butan-2-ol
CID 60887095
5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanamide
CID 114239295
2-(cyclopentylamino)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65106565
1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine
CID 61493973
N-(3-methylbut-3-enyl)-1-methylsulfonylpiperidin-4-amine
CID 114472064

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylsulfonylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(1-methylsulfonylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 60976887) is 2-[(1-methylsulfonylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(1-methylsulfonylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(1-methylsulfonylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CS(=O)(=O)N1CCC(NCC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-[(1-methylsulfonylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is AWNPJMCCILFPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O3S/c1-20(18,19)16-4-2-8(3-5-16)14-6-9(17)15-7-10(11,12)13/h8,14H,2-7H2,1H3,(H,15,17).
What are the key properties of 2-[(1-methylsulfonylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(1-methylsulfonylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 317.33 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylsulfonylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60976887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).