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

C9H16ClF3N2OS — CID 120574102

IUPACN-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide;hydrochloride
SMILESCC1NCCCC1NC(=O)CSC(F)(F)F.Cl
InChIInChI=1S/C9H15F3N2OS.ClH/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);1H
InChIKeyCWRYQZBGZDXFTF-UHFFFAOYSA-N
MW292.75 g/mol
LogP1.92
Rot. Bonds3

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

N-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide;hydrochloride (PubChem CID 120574102) has the molecular formula C9H16ClF3N2OS and a molecular weight of 292.75 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide;hydrochloride
PubChem CID120574102
Molecular FormulaC9H16ClF3N2OS
Molecular Weight292.75 g/mol
Exact Mass292.06
IUPAC NameN-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide;hydrochloride
SMILESCC1NCCCC1NC(=O)CSC(F)(F)F.Cl
InChIInChI=1S/C9H15F3N2OS.ClH/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);1H
InChIKeyCWRYQZBGZDXFTF-UHFFFAOYSA-N
XLogP1.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide
CID 120574103
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-phenylacetamide;hydrochloride
CID 120574528
3-(2-bromophenyl)sulfanyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
CID 120573590
2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120573821
N-(2-methylpiperidin-3-yl)-2-propan-2-yloxyacetamide
CID 112602527
5-methoxy-N-(2-methylpiperidin-3-yl)pentanamide;hydrochloride
CID 120575880
2-[methyl(methylsulfonyl)amino]-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120575937
N-(2-methylpiperidin-3-yl)-2-prop-2-enoxyacetamide;hydrochloride
CID 120575305

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide;hydrochloride (CID 120574102) is N-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide;hydrochloride is CC1NCCCC1NC(=O)CSC(F)(F)F.Cl.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide;hydrochloride?
The InChIKey is CWRYQZBGZDXFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2OS.ClH/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);1H.
What are the key properties of N-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide;hydrochloride?
N-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide;hydrochloride has a molecular weight of 292.75 g/mol, XLogP of 1.92, 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;hydrochloride is sourced from PubChem (CID 120574102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).