N-[(1S,3R)-3-methylsulfanylcyclopentyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide

C14H23F3N2O2S — CID 99849119

IUPACN-[(1S,3R)-3-methylsulfanylcyclopentyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
SMILESCS[C@@H]1CC[C@H](NC(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)C1
InChIInChI=1S/C14H23F3N2O2S/c1-22-11-3-2-10(8-11)18-13(21)19-6-4-9(5-7-19)12(20)14(15,16)17/h9-12,20H,2-8H2,1H3,(H,18,21)/t10-,11+,12+/m0/s1
InChIKeyJLOWUMOVLWWIPI-QJPTWQEYSA-N
MW340.41 g/mol
LogP2.62
Rot. Bonds3

About N-[(1S,3R)-3-methylsulfanylcyclopentyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide

N-[(1S,3R)-3-methylsulfanylcyclopentyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide (PubChem CID 99849119) has the molecular formula C14H23F3N2O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[(1S,3R)-3-methylsulfanylcyclopentyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-methylsulfanylcyclopentyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
PubChem CID99849119
Molecular FormulaC14H23F3N2O2S
Molecular Weight340.41 g/mol
Exact Mass340.14
IUPAC NameN-[(1S,3R)-3-methylsulfanylcyclopentyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
SMILESCS[C@@H]1CC[C@H](NC(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)C1
InChIInChI=1S/C14H23F3N2O2S/c1-22-11-3-2-10(8-11)18-13(21)19-6-4-9(5-7-19)12(20)14(15,16)17/h9-12,20H,2-8H2,1H3,(H,18,21)/t10-,11+,12+/m0/s1
InChIKeyJLOWUMOVLWWIPI-QJPTWQEYSA-N
XLogP2.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S,3R)-3-methylsulfanylcyclopentyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide with MolForge

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Related Compounds

N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide
CID 97334268
4-ethyl-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]piperazine-1-carboxamide
CID 95969263
2-[(3-methylsulfanylcyclopentyl)amino]-2-oxoacetic acid
CID 104768128
[4-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexyl]carbamic acid
CID 129247542
4-(2,2-difluoroethyl)-N-(3-ethylsulfanylcyclopentyl)-1,4-diazepane-1-carboxamide
CID 75437691
2-[[(butan-2-ylamino)-[(3-methylsulfanylcyclopentyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110038687
4-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
CID 162725913
(2S,4R)-4-hydroxy-1-[(3-methylsulfanylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114124049
N-tert-butyl-2-[[N'-methyl-N-(3-methylsulfanylcyclopentyl)carbamimidoyl]amino]acetamide
CID 111529183
N-(3-ethylcyclohexyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111455996
N-tert-butyl-2-[[N'-methyl-N-(3-methylsulfanylcyclopentyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111529182
N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4-[(1R)-1-hydroxyethyl]piperidine-1-carboxamide
CID 99620922

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-methylsulfanylcyclopentyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide?
The IUPAC name of N-[(1S,3R)-3-methylsulfanylcyclopentyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide (CID 99849119) is N-[(1S,3R)-3-methylsulfanylcyclopentyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(1S,3R)-3-methylsulfanylcyclopentyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(1S,3R)-3-methylsulfanylcyclopentyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide is CS[C@@H]1CC[C@H](NC(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)C1.
What is the InChIKey of N-[(1S,3R)-3-methylsulfanylcyclopentyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide?
The InChIKey is JLOWUMOVLWWIPI-QJPTWQEYSA-N. The full InChI is InChI=1S/C14H23F3N2O2S/c1-22-11-3-2-10(8-11)18-13(21)19-6-4-9(5-7-19)12(20)14(15,16)17/h9-12,20H,2-8H2,1H3,(H,18,21)/t10-,11+,12+/m0/s1.
What are the key properties of N-[(1S,3R)-3-methylsulfanylcyclopentyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide?
N-[(1S,3R)-3-methylsulfanylcyclopentyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-methylsulfanylcyclopentyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide is sourced from PubChem (CID 99849119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).