(2R,3R)-2-methyl-3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine

C9H16F3NS — CID 154952853

IUPAC(2R,3R)-2-methyl-3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCS[C@@H]1CCCN(CC(F)(F)F)[C@@H]1C
InChIInChI=1S/C9H16F3NS/c1-7-8(14-2)4-3-5-13(7)6-9(10,11)12/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyCSLUPSHHLWVWEU-HTQZYQBOSA-N
MW227.29 g/mol
LogP2.76
Rot. Bonds2

About (2R,3R)-2-methyl-3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine

(2R,3R)-2-methyl-3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 154952853) has the molecular formula C9H16F3NS and a molecular weight of 227.29 g/mol. Its IUPAC name is (2R,3R)-2-methyl-3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name(2R,3R)-2-methyl-3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID154952853
Molecular FormulaC9H16F3NS
Molecular Weight227.29 g/mol
Exact Mass227.10
IUPAC Name(2R,3R)-2-methyl-3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCS[C@@H]1CCCN(CC(F)(F)F)[C@@H]1C
InChIInChI=1S/C9H16F3NS/c1-7-8(14-2)4-3-5-13(7)6-9(10,11)12/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyCSLUPSHHLWVWEU-HTQZYQBOSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine
CID 123784194
4,4-Difluoro-1-(2-methylsulfanylethyl)piperidine
CID 133676991
3-Butan-2-yl-5-[1-(4,4-difluoropiperidin-1-yl)ethyl]-1,3-thiazolidine
CID 138722472
4-Methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine
CID 146488819
3-Ethylsulfanyl-4,4-difluoro-1-methylpiperidine
CID 146631131
1-Ethyl-2,2-difluoro-4-methylsulfanylpiperidine
CID 155034445
3,3-Difluoro-4-methylsulfanyl-1-propan-2-ylpiperidine
CID 155036689
1-Ethyl-3-ethylsulfanyl-4,4-difluoropiperidine
CID 166778105
1-(Methylsulfanylmethyl)-2-(trifluoromethyl)piperidine
CID 167006025
4-Fluoro-4-methylsulfanyl-1-propan-2-ylpiperidine
CID 167008502
4-Fluoro-4-methylsulfanyl-1-propylpiperidine
CID 167009284
1-Ethyl-3-fluoro-3-methylsulfanylpiperidine
CID 167009401

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of (2R,3R)-2-methyl-3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine (CID 154952853) is (2R,3R)-2-methyl-3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for (2R,3R)-2-methyl-3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for (2R,3R)-2-methyl-3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine is CS[C@@H]1CCCN(CC(F)(F)F)[C@@H]1C.
What is the InChIKey of (2R,3R)-2-methyl-3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is CSLUPSHHLWVWEU-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H16F3NS/c1-7-8(14-2)4-3-5-13(7)6-9(10,11)12/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine?
(2R,3R)-2-methyl-3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 227.29 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 154952853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).