N-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide

C9H15F3N2OS — CID 120574103

IUPACN-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide
SMILESCC1NCCCC1NC(=O)CSC(F)(F)F
InChIInChI=1S/C9H15F3N2OS/c1-6-7(3-2-4-13-6)14-8(15)5-16-9(10,11)12/h6-7,13H,2-5H2,1H3,(H,14,15)
InChIKeyKZSSNZVHNQTMFS-UHFFFAOYSA-N
MW256.29 g/mol
LogP1.50
Rot. Bonds3

About N-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide

N-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 120574103) has the molecular formula C9H15F3N2OS and a molecular weight of 256.29 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide
PubChem CID120574103
Molecular FormulaC9H15F3N2OS
Molecular Weight256.29 g/mol
Exact Mass256.09
IUPAC NameN-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide
SMILESCC1NCCCC1NC(=O)CSC(F)(F)F
InChIInChI=1S/C9H15F3N2OS/c1-6-7(3-2-4-13-6)14-8(15)5-16-9(10,11)12/h6-7,13H,2-5H2,1H3,(H,14,15)
InChIKeyKZSSNZVHNQTMFS-UHFFFAOYSA-N
XLogP1.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide;hydrochloride
CID 120574102
3,3-dimethyl-N-(2-methylpiperidin-3-yl)butanamide
CID 79042098
N-(2-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103206930
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)acetamide
CID 120574349
N-[(2S,3S)-2-methylpiperidin-3-yl]but-3-enamide
CID 130763417
N-(2-methylpiperidin-3-yl)-2-propan-2-yloxyacetamide
CID 112602527
2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide
CID 120573822
N-(2-methylpiperidin-3-yl)hex-5-enamide
CID 120576314
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
N-(2-methylpiperidin-3-yl)-2-propylsulfonylacetamide
CID 120577111
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-methylpiperidin-3-yl)acetamide
CID 120574425
1,1-dimethyl-3-[(2R,3R)-2-methylpiperidin-3-yl]urea
CID 118114950

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide (CID 120574103) is N-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide is CC1NCCCC1NC(=O)CSC(F)(F)F.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is KZSSNZVHNQTMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2OS/c1-6-7(3-2-4-13-6)14-8(15)5-16-9(10,11)12/h6-7,13H,2-5H2,1H3,(H,14,15).
What are the key properties of N-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide?
N-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide has a molecular weight of 256.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 120574103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).